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

Systemtic Name: ethyl 1-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-[(4-fluorophenyl)methyl]-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxo-quinoline-3-carboxylate CAS Name: 1-[(4-fluorophenyl)methyl]-4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-fluorophenyl)methyl]-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-(4-p-anisoylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C31H30FN3O5 MolecularWeight: 543.585403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30FN3O5/c1-3-40-31(38)27-28(33-16-18-34(19-17-33)29(36)22-10-14-24(39-2)15-11-22)25-6-4-5-7-26(25)35(30(27)37)20-21-8-12-23(32)13-9-21/h4-15H,3,16-20H2,1-2H3