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

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-[[(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=C(C=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=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N)OC

InChI

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