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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-3,4-dimethoxy-benzamide Formula: C27H27ClN4O4 MolecularWeight: 506.98068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN4O4/c1-35-24-11-8-20(15-25(24)36-2)26(33)31-22-9-10-23(28)21(14-22)17-32(13-3-12-29)27(34)19-6-4-18(16-30)5-7-19/h4-11,14-15H,3,12-13,17,29H2,1-2H3,(H,31,33)