[1-(diphenylamino)-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-(diphenylamino)-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-(diphenylcarbamoyl)propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-oxo-1-(N-phenylanilino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(N-phenylanilino)butan-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-(diphenylcarbamoyl)propyl ester Formula: C33H27ClN2O4 MolecularWeight: 551.03148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C33H27ClN2O4/c1-3-28(32(38)36(24-12-6-4-7-13-24)25-14-8-5-9-15-25)40-33(39)30-29(22-18-20-23(34)21-19-22)26-16-10-11-17-27(26)31(37)35(30)2/h4-21,28H,3H2,1-2H3