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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-5,8-dimethyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-5,8-dimethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-5,8-dimethyl-4-oxo-7-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-5,8-dimethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-5,8-dimethyl-quinoline-3-carboxylic acid Formula: C26H28FN3O3 MolecularWeight: 449.517223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1F)N3CCN(CC3)CC4=CC=CC=C4)C)N(C=C(C2=O)C(=O)O)C5CC5

Isomeric SMILES

CC1=C2C(=C(C(=C1F)N3CCN(CC3)CC4=CC=CC=C4)C)N(C=C(C2=O)C(=O)O)C5CC5

InChI

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