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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-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)NC2=CC=CC(=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N)OC

InChI

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