5-azanyl-1-cyclopropyl-6-fluoranyl-7-[3-[2-(methylamino)propan-2-yl]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-7-[3-[2-(methylamino)propan-2-yl]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6-fluoro-7-[3-[1-methyl-1-(methylamino)ethyl]pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-(methylamino)propan-2-yl]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-7-[3-[2-(methylamino)propan-2-yl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6-fluoro-4-keto-7-[3-[1-methyl-1-(methylamino)ethyl]pyrrolidino]quinoline-3-carboxylic acid Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCN(C1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)N)F)NC

Isomeric SMILES

CC(C)(C1CCN(C1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)N)F)NC

InChI

InChI=1S/C21H27FN4O3/c1-21(2,24-3)11-6-7-25(9-11)15-8-14-16(18(23)17(15)22)19(27)13(20(28)29)10-26(14)12-4-5-12/h8,10-12,24H,4-7,9,23H2,1-3H3,(H,28,29)