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

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxo-quinoline-3-carboxylate CAS Name: 4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-4-[4-(4-fluorobenzoyl)piperazino]-2-keto-quinoline-3-carboxylic acid ethyl ester Formula: C30H28FN3O4 MolecularWeight: 513.559423

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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)F

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)F

InChI

InChI=1S/C30H28FN3O4/c1-2-38-30(37)26-27(32-16-18-33(19-17-32)28(35)22-12-14-23(31)15-13-22)24-10-6-7-11-25(24)34(29(26)36)20-21-8-4-3-5-9-21/h3-15H,2,16-20H2,1H3