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

Systemtic Name: 7-[3-(2-cyanoethylamino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(2-cyanoethylamino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(2-cyanoethylamino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(2-cyanoethylamino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(2-cyanoethylamino)pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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