[3-[methyl-(phenylmethyl)amino]propylamino] 2-(4-chlorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: [3-[methyl-(phenylmethyl)amino]propylamino] 2-(4-chlorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: [3-[benzyl(methyl)amino]propylamino] 2-(4-chlorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-1-oxo-4-isoquinolinecarboxylic acid [3-[methyl-(phenylmethyl)amino]propylamino] ester IUPAC Name: [3-[benzyl(methyl)amino]propylamino] 2-(4-chlorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-1-keto-isoquinoline-4-carboxylic acid [3-[benzyl(methyl)amino]propylamino] ester Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CN(CCCNOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O3/c1-30(18-20-8-3-2-4-9-20)17-7-16-29-34-27(33)25-19-31(22-14-12-21(28)13-15-22)26(32)24-11-6-5-10-23(24)25/h2-6,8-15,19,29H,7,16-18H2,1H3