ethyl 6-chloranyl-4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxo-quinoline-3-carboxylate CAS Name: 6-chloro-4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-6-chloro-2-keto-4-(4-p-anisoylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C31H30ClN3O5 MolecularWeight: 560.04

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30ClN3O5/c1-3-40-31(38)27-28(33-15-17-34(18-16-33)29(36)22-9-12-24(39-2)13-10-22)25-19-23(32)11-14-26(25)35(30(27)37)20-21-7-5-4-6-8-21/h4-14,19H,3,15-18,20H2,1-2H3