(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-(phenylcarbamoyl)propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid 1-(phenylcarbamoyl)propyl ester Formula: C27H23ClN2O4 MolecularWeight: 474.93552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClN2O4/c1-3-22(25(31)29-19-9-5-4-6-10-19)34-27(33)24-23(17-13-15-18(28)16-14-17)20-11-7-8-12-21(20)26(32)30(24)2/h4-16,22H,3H2,1-2H3,(H,29,31)