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

Systemtic Name: 5-azanyl-7-[(3R)-3-(2-azanylpropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(3R)-3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[(3R)-3-(2-aminopropan-2-yl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(3R)-3-(1-amino-1-methyl-ethyl)pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H27FN4O4 MolecularWeight: 418.461883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)OC)N

Isomeric SMILES

CC(C)([C@@H]1CCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)OC)N

InChI

InChI=1S/C21H27FN4O4/c1-21(2,24)10-6-7-25(8-10)17-14(22)15(23)13-16(19(17)30-3)26(11-4-5-11)9-12(18(13)27)20(28)29/h9-11H,4-8,23-24H2,1-3H3,(H,28,29)/t10-/m1/s1