N-[4-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-4-cyano-benzamide

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-4-cyano-benzamide Formula: C29H27N5O2 MolecularWeight: 477.55698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H27N5O2/c30-17-20-5-11-23(12-6-20)28(35)33-25-15-9-22(10-16-25)19-34(27-4-2-1-3-26(27)32)29(36)24-13-7-21(18-31)8-14-24/h5-16,26-27H,1-4,19,32H2,(H,33,35)