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

Systemtic Name: ethyl 4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-6-methyl-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-methyl-2-oxo-quinoline-3-carboxylate CAS Name: 4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-6-methyl-2-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-2-keto-6-methyl-4-(4-p-anisoylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C32H33N3O5 MolecularWeight: 539.62152

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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)OC

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)OC

InChI

InChI=1S/C32H33N3O5/c1-4-40-32(38)28-29(33-16-18-34(19-17-33)30(36)24-11-13-25(39-3)14-12-24)26-20-22(2)10-15-27(26)35(31(28)37)21-23-8-6-5-7-9-23/h5-15,20H,4,16-19,21H2,1-3H3