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

Systemtic Name: 7-[4-(aminomethyl)piperidin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(aminomethyl)-1-piperidyl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(aminomethyl)-1-piperidinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(aminomethyl)piperidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(aminomethyl)piperidino]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H21F2N3O3 MolecularWeight: 365.374446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCC(CC3)CN)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCC(CC3)CN)F)C(=O)O

InChI

InChI=1S/C18H21F2N3O3/c1-2-22-9-12(18(25)26)17(24)11-7-13(19)16(14(20)15(11)22)23-5-3-10(8-21)4-6-23/h7,9-10H,2-6,8,21H2,1H3,(H,25,26)