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

Systemtic Name: 1-cyclopropyl-7-[3,3-dimethyl-4-(phenylmethyl)piperazin-1-yl]-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-benzyl-3,3-dimethyl-piperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3,3-dimethyl-4-(phenylmethyl)-1-piperazinyl]-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzyl-3,3-dimethyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C27H30FN3O3 MolecularWeight: 463.543803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCN(C(C3)(C)C)CC4=CC=CC=C4)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCN(C(C3)(C)C)CC4=CC=CC=C4)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

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