5-azanyl-1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(4-methyl-1,2,3-triazol-1-yl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(4-methyl-1,2,3-triazol-1-yl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyl-1-triazolyl)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidino]quinoline-3-carboxylic acid Formula: C21H23FN6O4 MolecularWeight: 442.443523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=N1)C2CCN(C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)OC

Isomeric SMILES

CC1=CN(N=N1)C2CCN(C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)OC

InChI

InChI=1S/C21H23FN6O4/c1-10-7-28(25-24-10)12-5-6-26(8-12)18-15(22)16(23)14-17(20(18)32-2)27(11-3-4-11)9-13(19(14)29)21(30)31/h7,9,11-12H,3-6,8,23H2,1-2H3,(H,30,31)