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

Systemtic Name: 7-[4-(2-cyanoethyl)-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-cyanoethyl)-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-cyanoethyl)-3-methyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-cyanoethyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-cyanoethyl)-3-methyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCC#N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1CCC#N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H23FN4O3/c1-13-11-25(8-7-24(13)6-2-5-23)19-10-18-15(9-17(19)22)20(27)16(21(28)29)12-26(18)14-3-4-14/h9-10,12-14H,2-4,6-8,11H2,1H3,(H,28,29)