CAS 350797-56-7 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 350797-56-7, 1-[3-(benzoyloxy)propyl]-2,3-dihydro-5-(2-nitropropyl)-1h-indole-7-carbonitrile, 3-[7-cyano-5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl benzoate, 3-(7-cyano-5-(2-nitropropyl)indolin-1-yl)propylbenzoate, 1-[3-(benzoyloxy)propyl]-2,3-dihydro-5-(2-nitropropyl)- 1h-indole-7-carbonitrile, Schembl2547252
Molecular Formula
C22H23N3O4
Molecular Weight
393.4  g/mol
InChI Key
TYYQPIFWISYHQT-UHFFFAOYSA-N

CAS 350797-56-7
1 2D Structure

CAS 350797-56-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[7-cyano-5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl benzoate
2.1.2 InChI
InChI=1S/C22H23N3O4/c1-16(25(27)28)12-17-13-19-8-10-24(21(19)20(14-17)15-23)9-5-11-29-22(26)18-6-3-2-4-7-18/h2-4,6-7,13-14,16H,5,8-12H2,1H3
2.1.3 InChI Key
TYYQPIFWISYHQT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOC(=O)C3=CC=CC=C3)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 350797-56-7

2. 1-[3-(benzoyloxy)propyl]-2,3-dihydro-5-(2-nitropropyl)-1h-indole-7-carbonitrile

3. 3-[7-cyano-5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl Benzoate

4. 3-(7-cyano-5-(2-nitropropyl)indolin-1-yl)propylbenzoate

5. 1-[3-(benzoyloxy)propyl]-2,3-dihydro-5-(2-nitropropyl)- 1h-indole-7-carbonitrile

6. Schembl2547252

7. Dtxsid90436975

8. Bcp10529

9. Mfcd17169997

10. Akos015904543

11. Ds-3685

12. Ac-26978

13. Cs-0154055

14. Ft-0747204

15. Cyano-5-(2-nitropropyl)indolin-1-yl)propyl Benzoate

16. 1-(3-benzoyloxypropyl)-7-cyano-5-(2-nitropropyl)-2,3-dihydroindole

17. 3-[7-cyano-5-(2-nitropropyl)-2,3-dihydro-1h-indol-1-yl]propyl Benzoate

18. Benzoic Acid 3-[7-cyano-5-(2-nitropropyl)indoline-1-yl]propyl Ester

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 393.4 g/mol
Molecular Formula C22H23N3O4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area99.2
Heavy Atom Count29
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty