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

Systemtic Name: [1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-(2-naphthylcarbamoyl)propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-(2-naphthalenylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(naphthalen-2-ylamino)-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-(2-naphthylcarbamoyl)propyl ester Formula: C31H25ClN2O4 MolecularWeight: 524.9942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H25ClN2O4/c1-3-26(29(35)33-23-17-14-19-8-4-5-9-21(19)18-23)38-31(37)28-27(20-12-15-22(32)16-13-20)24-10-6-7-11-25(24)30(36)34(28)2/h4-18,26H,3H2,1-2H3,(H,33,35)