7-[3-[[2-cyanoethyl(methyl)amino]methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[[2-cyanoethyl(methyl)amino]methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[[2-cyanoethyl(methyl)amino]methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[[2-cyanoethyl(methyl)amino]methyl]-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[[2-cyanoethyl(methyl)amino]methyl]-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[[2-cyanoethyl(methyl)amino]methyl]-3-methyl-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C24H29FN4O3 MolecularWeight: 440.510463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC(C3)(C)CN(C)CCC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC(C3)(C)CN(C)CCC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C24H29FN4O3/c1-15-20-17(22(30)18(23(31)32)12-29(20)16-5-6-16)11-19(25)21(15)28-10-7-24(2,14-28)13-27(3)9-4-8-26/h11-12,16H,4-7,9-10,13-14H2,1-3H3,(H,31,32)