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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]-4-cyanobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide Formula: C29H26ClN5O2 MolecularWeight: 512.00204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H26ClN5O2/c30-27-14-11-25(34-28(36)21-5-1-19(16-31)2-6-21)15-23(27)18-35(26-12-9-24(33)10-13-26)29(37)22-7-3-20(17-32)4-8-22/h1-8,11,14-15,24,26H,9-10,12-13,18,33H2,(H,34,36)