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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methyl-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-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methyl-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-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzyl-3-methyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C26H28FN3O3 MolecularWeight: 449.517223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=CC=CC=C2)C3=C(C=C4C(=C3C)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1CN(CCN1CC2=CC=CC=C2)C3=C(C=C4C(=C3C)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C26H28FN3O3/c1-16-13-29(11-10-28(16)14-18-6-4-3-5-7-18)24-17(2)23-20(12-22(24)27)25(31)21(26(32)33)15-30(23)19-8-9-19/h3-7,12,15-16,19H,8-11,13-14H2,1-2H3,(H,32,33)