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

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 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-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C26H21ClN2O4 MolecularWeight: 460.90894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C26H21ClN2O4/c1-16(24(30)28-19-8-4-3-5-9-19)33-26(32)23-22(17-12-14-18(27)15-13-17)20-10-6-7-11-21(20)25(31)29(23)2/h3-16H,1-2H3,(H,28,30)