7-[3-(1-azanylcyclopropyl)pyrrolidin-1-yl]-8-cyano-1-(2-fluoranylcyclopropyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(1-azanylcyclopropyl)pyrrolidin-1-yl]-8-cyano-1-(2-fluoranylcyclopropyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-(2-fluorocyclopropyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(1-aminocyclopropyl)-1-pyrrolidinyl]-8-cyano-1-(2-fluorocyclopropyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-(2-fluorocyclopropyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-aminocyclopropyl)pyrrolidino]-8-cyano-1-(2-fluorocyclopropyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2(CC2)N)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5F)C(=O)O)C#N

Isomeric SMILES

C1CN(CC1C2(CC2)N)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5F)C(=O)O)C#N

InChI

InChI=1S/C21H21FN4O3/c22-15-7-17(15)26-10-14(20(28)29)19(27)12-1-2-16(13(8-23)18(12)26)25-6-3-11(9-25)21(24)4-5-21/h1-2,10-11,15,17H,3-7,9,24H2,(H,28,29)