N-(3-azanylpropyl)-N-[[3-[(4-cyanophenyl)carbonylamino]phenyl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[3-[(4-cyanophenyl)carbonylamino]phenyl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-(3-aminopropyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-(3-aminopropyl)-N-[[3-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-(3-aminopropyl)-N-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-(3-aminopropyl)-N-[3-[(4-cyanobenzoyl)amino]benzyl]-3,4-dimethoxy-benzamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C27H28N4O4/c1-34-24-12-11-22(16-25(24)35-2)27(33)31(14-4-13-28)18-20-5-3-6-23(15-20)30-26(32)21-9-7-19(17-29)8-10-21/h3,5-12,15-16H,4,13-14,18,28H2,1-2H3,(H,30,32)