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

Systemtic Name: 7-[3-(1-azanyl-2-cyano-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(1-amino-2-cyano-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(1-amino-2-cyanoethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1-amino-2-cyanoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-amino-2-cyano-ethyl)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)C(CC#N)N)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O3/c1-11-18-14(20(27)15(21(28)29)10-26(18)13-2-3-13)8-16(22)19(11)25-7-5-12(9-25)17(24)4-6-23/h8,10,12-13,17H,2-5,7,9,24H2,1H3,(H,28,29)