N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyano-benzamide Formula: C26H23N5O2 MolecularWeight: 437.49312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C#N)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C#N)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H23N5O2/c27-13-2-14-31(26(33)23-11-7-20(17-29)8-12-23)18-21-3-1-4-24(15-21)30-25(32)22-9-5-19(16-28)6-10-22/h1,3-12,15H,2,13-14,18,27H2,(H,30,32)