N-(3-azanylpropyl)-N-[[2-chloranyl-5-(2-phenylethanoylamino)phenyl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[2-chloranyl-5-(2-phenylethanoylamino)phenyl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(2-phenylacetyl)amino]phenyl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(1-oxo-2-phenylethyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(2-phenylacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-(3-aminopropyl)-N-[2-chloro-5-[(2-phenylacetyl)amino]benzyl]-3,4-dimethoxy-benzamide Formula: C27H30ClN3O4 MolecularWeight: 495.9978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C27H30ClN3O4/c1-34-24-12-9-20(17-25(24)35-2)27(33)31(14-6-13-29)18-21-16-22(10-11-23(21)28)30-26(32)15-19-7-4-3-5-8-19/h3-5,7-12,16-17H,6,13-15,18,29H2,1-2H3,(H,30,32)