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

Systemtic Name: 7-[3-[2-cyanoethyl(methyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-2,3-dihydroquinoline-3-carboxylic acid Openeye Name: 7-[3-[2-cyanoethyl(methyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-2,3-dihydroquinoline-3-carboxylic acid CAS Name: 7-[3-[2-cyanoethyl(methyl)amino]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-2,3-dihydroquinoline-3-carboxylic acid IUPAC Name: 7-[3-[2-cyanoethyl(methyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-2,3-dihydroquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-cyanoethyl(methyl)amino]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-2,3-dihydroquinoline-3-carboxylic acid Formula: C22H27FN4O3 MolecularWeight: 414.473183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O3/c1-13-19-16(21(28)17(22(29)30)12-27(19)14-4-5-14)10-18(23)20(13)26-9-6-15(11-26)25(2)8-3-7-24/h10,14-15,17H,3-6,8-9,11-12H2,1-2H3,(H,29,30)