7-[4-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(aminomethyl)-1-piperidyl]-1-cyclopropyl-6,8-difluoro-2-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(aminomethyl)-1-piperidinyl]-1-cyclopropyl-6,8-difluoro-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(aminomethyl)piperidino]-1-cyclopropyl-6,8-difluoro-2-keto-quinoline-3-carboxylic acid Formula: C19H21F2N3O3 MolecularWeight: 377.385146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C(=C(C=C3C=C(C2=O)C(=O)O)F)N4CCC(CC4)CN)F

Isomeric SMILES

C1CC1N2C3=C(C(=C(C=C3C=C(C2=O)C(=O)O)F)N4CCC(CC4)CN)F

InChI

InChI=1S/C19H21F2N3O3/c20-14-8-11-7-13(19(26)27)18(25)24(12-1-2-12)16(11)15(21)17(14)23-5-3-10(9-22)4-6-23/h7-8,10,12H,1-6,9,22H2,(H,26,27)