6-fluoranyl-1-[2-fluoranyl-4-(4-phenylpiperazin-1-yl)phenyl]-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-[2-fluoranyl-4-(4-phenylpiperazin-1-yl)phenyl]-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-[2-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[2-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-4-oxo-7-(4-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-[2-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-[2-fluoro-4-(4-phenylpiperazino)phenyl]-4-keto-7-(4-phenylpiperazino)quinoline-3-carboxylic acid Formula: C36H33F2N5O3 MolecularWeight: 621.675726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC(=C(C=C3)N4C=C(C(=O)C5=CC(=C(C=C54)N6CCN(CC6)C7=CC=CC=C7)F)C(=O)O)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC(=C(C=C3)N4C=C(C(=O)C5=CC(=C(C=C54)N6CCN(CC6)C7=CC=CC=C7)F)C(=O)O)F

InChI

InChI=1S/C36H33F2N5O3/c37-30-21-27(41-15-13-39(14-16-41)25-7-3-1-4-8-25)11-12-32(30)43-24-29(36(45)46)35(44)28-22-31(38)34(23-33(28)43)42-19-17-40(18-20-42)26-9-5-2-6-10-26/h1-12,21-24H,13-20H2,(H,45,46)