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

Systemtic Name: 7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[2-cyano-1-(methylamino)ethyl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-cyano-1-(methylamino)ethyl]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H25FN4O3 MolecularWeight: 412.457303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O3/c1-12-19-15(21(28)16(22(29)30)11-27(19)14-3-4-14)9-17(23)20(12)26-8-6-13(10-26)18(25-2)5-7-24/h9,11,13-14,18,25H,3-6,8,10H2,1-2H3,(H,29,30)