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

Systemtic Name: 5-azanyl-1-cyclopropyl-7-[4-(cyclopropylamino)piperidin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-7-[4-(cyclopropylamino)-1-piperidyl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-7-[4-(cyclopropylamino)-1-piperidinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-7-[4-(cyclopropylamino)piperidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-7-[4-(cyclopropylamino)piperidino]-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H27FN4O4 MolecularWeight: 430.472583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCC(CC4)NC5CC5

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCC(CC4)NC5CC5

InChI

InChI=1S/C22H27FN4O4/c1-31-21-18-15(20(28)14(22(29)30)10-27(18)13-4-5-13)17(24)16(23)19(21)26-8-6-12(7-9-26)25-11-2-3-11/h10-13,25H,2-9,24H2,1H3,(H,29,30)