1-cyclopropyl-6-fluoranyl-5,8-dimethyl-7-[3-methyl-4-(phenylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-5,8-dimethyl-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-5,8-dimethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-5,8-dimethyl-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-5,8-dimethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzyl-3-methyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-5,8-dimethyl-quinoline-3-carboxylic acid Formula: C27H30FN3O3 MolecularWeight: 463.543803

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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)C)F

Isomeric SMILES

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

InChI

InChI=1S/C27H30FN3O3/c1-16-13-30(12-11-29(16)14-19-7-5-4-6-8-19)25-18(3)24-22(17(2)23(25)28)26(32)21(27(33)34)15-31(24)20-9-10-20/h4-8,15-16,20H,9-14H2,1-3H3,(H,33,34)