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

Systemtic Name: ethyl 4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxo-quinoline-3-carboxylate CAS Name: 4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-2-keto-4-(4-p-anisoylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C31H31N3O5 MolecularWeight: 525.59494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H31N3O5/c1-3-39-31(37)27-28(32-17-19-33(20-18-32)29(35)23-13-15-24(38-2)16-14-23)25-11-7-8-12-26(25)34(30(27)36)21-22-9-5-4-6-10-22/h4-16H,3,17-21H2,1-2H3