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: 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: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyl-1-triazolyl)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidino]quinoline-3-carboxylic acid Formula: C21H22FN5O4 MolecularWeight: 427.428883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=N1)C2CCN(C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1=CN(N=N1)C2CCN(C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C21H22FN5O4/c1-11-8-27(24-23-11)13-5-6-25(9-13)18-16(22)7-14-17(20(18)31-2)26(12-3-4-12)10-15(19(14)28)21(29)30/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,29,30)