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

Systemtic Name: 7-[3-(2-cyanoethylamino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(2-cyanoethylamino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(2-cyanoethylamino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(2-cyanoethylamino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(2-cyanoethylamino)pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC(C3)NCCC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC(C3)NCCC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C21H23FN4O4/c1-30-20-17-14(19(27)15(21(28)29)11-26(17)13-3-4-13)9-16(22)18(20)25-8-5-12(10-25)24-7-2-6-23/h9,11-13,24H,2-5,7-8,10H2,1H3,(H,28,29)