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

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

Isomeric SMILES

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

InChI

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