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

Systemtic Name: 7-[3-(1-azanyl-2-cyano-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(1-amino-2-cyano-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(1-amino-2-cyanoethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1-amino-2-cyanoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-amino-2-cyano-ethyl)pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H21FN4O3 MolecularWeight: 384.404143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)C(CC#N)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)C(CC#N)N)F)C(=O)O

InChI

InChI=1S/C20H21FN4O3/c21-15-7-13-17(25(12-1-2-12)10-14(19(13)26)20(27)28)8-18(15)24-6-4-11(9-24)16(23)3-5-22/h7-8,10-12,16H,1-4,6,9,23H2,(H,27,28)