N-[4-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide Formula: C30H32N4O4 MolecularWeight: 512.59948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(C3CCCCC3N)C(=O)C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C30H32N4O4/c1-37-27-16-13-23(17-28(27)38-2)29(35)33-24-14-9-21(10-15-24)19-34(26-6-4-3-5-25(26)32)30(36)22-11-7-20(18-31)8-12-22/h7-17,25-26H,3-6,19,32H2,1-2H3,(H,33,35)