7-[4-(aminomethyl)piperidin-1-yl]-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(aminomethyl)piperidin-1-yl]-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(aminomethyl)-1-piperidyl]-6-fluoro-1-(4-fluorophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(aminomethyl)-1-piperidinyl]-6-fluoro-1-(4-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(aminomethyl)piperidin-1-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(aminomethyl)piperidino]-6-fluoro-1-(4-fluorophenyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H21F2N3O3 MolecularWeight: 413.417246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

C1CN(CCC1CN)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C22H21F2N3O3/c23-14-1-3-15(4-2-14)27-12-17(22(29)30)21(28)16-9-18(24)20(10-19(16)27)26-7-5-13(11-25)6-8-26/h1-4,9-10,12-13H,5-8,11,25H2,(H,29,30)