1-cyclopropyl-6-fluoranyl-8-(hydroxymethyl)-7-[3-methyl-4-(phenylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-(hydroxymethyl)-7-[3-methyl-4-(phenylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-benzyl-3-methyl-piperazin-1-yl)-1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-7-[3-methyl-4-(phenylmethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzyl-3-methyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-8-methylol-quinoline-3-carboxylic acid Formula: C26H28FN3O4 MolecularWeight: 465.516623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=CC=CC=C2)C3=C(C=C4C(=C3CO)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1CN(CCN1CC2=CC=CC=C2)C3=C(C=C4C(=C3CO)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C26H28FN3O4/c1-16-12-29(10-9-28(16)13-17-5-3-2-4-6-17)24-21(15-31)23-19(11-22(24)27)25(32)20(26(33)34)14-30(23)18-7-8-18/h2-6,11,14,16,18,31H,7-10,12-13,15H2,1H3,(H,33,34)