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

Systemtic Name: N-[3-[[3-azanylpropyl(phenylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chloro-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chloro-phenyl]-3,4-dimethoxy-benzamide Formula: C26H28ClN3O4 MolecularWeight: 481.97122

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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=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN3O4/c1-33-23-12-9-19(16-24(23)34-2)25(31)29-21-10-11-22(27)20(15-21)17-30(14-6-13-28)26(32)18-7-4-3-5-8-18/h3-5,7-12,15-16H,6,13-14,17,28H2,1-2H3,(H,29,31)