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

Systemtic Name: 7-[3-(1-azanylcyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(1-aminocyclopropyl)-1-pyrrolidinyl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-aminocyclopropyl)pyrrolidino]-8-cyano-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4CCC(C4)C5(CC5)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4CCC(C4)C5(CC5)N)F)C(=O)O

InChI

InChI=1S/C21H21FN4O3/c22-16-7-13-17(26(12-1-2-12)10-15(19(13)27)20(28)29)14(8-23)18(16)25-6-3-11(9-25)21(24)4-5-21/h7,10-12H,1-6,9,24H2,(H,28,29)