1-cyclopropyl-6-fluoranyl-7-(4-methanoyl-3-phenyl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-(4-methanoyl-3-phenyl-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-(4-formyl-3-phenyl-piperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-(4-formyl-3-phenyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-(4-formyl-3-phenylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-(4-formyl-3-phenyl-piperazino)-4-keto-quinoline-3-carboxylic acid Formula: C24H22FN3O4 MolecularWeight: 435.447583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C(C4)C5=CC=CC=C5)C=O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C(C4)C5=CC=CC=C5)C=O)F)C(=O)O

InChI

InChI=1S/C24H22FN3O4/c25-19-10-17-20(28(16-6-7-16)12-18(23(17)30)24(31)32)11-21(19)26-8-9-27(14-29)22(13-26)15-4-2-1-3-5-15/h1-5,10-12,14,16,22H,6-9,13H2,(H,31,32)