1-[[2-(3-fluorophenyl)-3-oxidanylidene-4-phenyl-piperazin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-[[2-(3-fluorophenyl)-3-oxidanylidene-4-phenyl-piperazin-1-yl]methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[2-(3-fluorophenyl)-3-oxo-4-phenyl-piperazin-1-yl]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[2-(3-fluorophenyl)-3-oxo-4-phenyl-1-piperazinyl]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[2-(3-fluorophenyl)-3-oxo-4-phenylpiperazin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[2-(3-fluorophenyl)-3-keto-4-phenyl-piperazino]methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C27H22FN3O4 MolecularWeight: 471.479683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1CC2=C3C=CC=CN3C(=O)C(=C2)C(=O)O)C4=CC(=CC=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)C(N1CC2=C3C=CC=CN3C(=O)C(=C2)C(=O)O)C4=CC(=CC=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H22FN3O4/c28-20-8-6-7-18(15-20)24-26(33)30(21-9-2-1-3-10-21)14-13-29(24)17-19-16-22(27(34)35)25(32)31-12-5-4-11-23(19)31/h1-12,15-16,24H,13-14,17H2,(H,34,35)