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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C30H32N4O4/c1-37-27-15-10-23(17-28(27)38-2)29(35)33-25-5-3-4-21(16-25)19-34(26-13-11-24(32)12-14-26)30(36)22-8-6-20(18-31)7-9-22/h3-10,15-17,24,26H,11-14,19,32H2,1-2H3,(H,33,35)