1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid dihydrate

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid dihydrate Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxo-quinoline-3-carboxylic acid dihydrate CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-3-quinolinecarboxylic acid dihydrate IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid dihydrate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-(methylamino)piperidino]quinoline-3-carboxylic acid dihydrate Formula: C20H28FN3O6 MolecularWeight: 425.451223

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.O.O

Isomeric SMILES

CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.O.O

InChI

InChI=1S/C20H24FN3O4.2H2O/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27;;/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27);2*1H2