ethyl 4-[4-(3,4-dichlorophenyl)carbonylpiperazin-1-yl]-6-methyl-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-(3,4-dichlorophenyl)carbonylpiperazin-1-yl]-6-methyl-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-6-methyl-2-oxo-quinoline-3-carboxylate CAS Name: 4-[4-[(3,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-6-methyl-2-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazino]-2-keto-6-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C31H29Cl2N3O4 MolecularWeight: 578.48566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2)C)N(C1=O)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2)C)N(C1=O)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C31H29Cl2N3O4/c1-3-40-31(39)27-28(34-13-15-35(16-14-34)29(37)22-10-11-24(32)25(33)18-22)23-17-20(2)9-12-26(23)36(30(27)38)19-21-7-5-4-6-8-21/h4-12,17-18H,3,13-16,19H2,1-2H3