1-cyclopropyl-7-[4-(2-dimethylaminoethyl)-3-phenyl-piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[4-(2-dimethylaminoethyl)-3-phenyl-piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(2-dimethylaminoethyl)-3-phenyl-piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-(2-dimethylaminoethyl)-3-phenyl-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(2-dimethylaminoethyl)-3-phenylpiperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(2-dimethylaminoethyl)-3-phenyl-piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H31FN4O3 MolecularWeight: 478.558443

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CN(C)CCN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C27H31FN4O3/c1-29(2)10-11-30-12-13-31(17-25(30)18-6-4-3-5-7-18)24-15-23-20(14-22(24)28)26(33)21(27(34)35)16-32(23)19-8-9-19/h3-7,14-16,19,25H,8-13,17H2,1-2H3,(H,34,35)