1-cyclopropyl-6-fluoranyl-7-[4-[2-(3-methoxyphenyl)ethanoyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-[2-(3-methoxyphenyl)ethanoyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(3-methoxyphenyl)-1-oxoethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[2-(3-methoxyphenyl)acetyl]piperazino]quinoline-3-carboxylic acid Formula: C26H26FN3O5 MolecularWeight: 479.500143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C26H26FN3O5/c1-35-18-4-2-3-16(11-18)12-24(31)29-9-7-28(8-10-29)23-14-22-19(13-21(23)27)25(32)20(26(33)34)15-30(22)17-5-6-17/h2-4,11,13-15,17H,5-10,12H2,1H3,(H,33,34)