1-(6-fluoranyl-2,2-dimethyl-quinolin-1-yl)carbonyl-4-(2-oxidanylidenebutyl)-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-(6-fluoranyl-2,2-dimethyl-quinolin-1-yl)carbonyl-4-(2-oxidanylidenebutyl)-1,2,3,4-tetrazol-5-one Openeye Name: 1-(6-fluoro-2,2-dimethyl-quinoline-1-carbonyl)-4-(2-oxobutyl)tetrazol-5-one CAS Name: 1-[(6-fluoro-2,2-dimethyl-1-quinolinyl)-oxomethyl]-4-(2-oxobutyl)-5-tetrazolone IUPAC Name: 1-(6-fluoro-2,2-dimethylquinoline-1-carbonyl)-4-(2-oxobutyl)tetrazol-5-one Traditional Name: 1-(6-fluoro-2,2-dimethyl-quinoline-1-carbonyl)-4-(2-ketobutyl)tetrazol-5-one Formula: C17H18FN5O3 MolecularWeight: 359.354923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C(=O)N(N=N1)C(=O)N2C3=C(C=CC2(C)C)C=C(C=C3)F

Isomeric SMILES

CCC(=O)CN1C(=O)N(N=N1)C(=O)N2C3=C(C=CC2(C)C)C=C(C=C3)F

InChI

InChI=1S/C17H18FN5O3/c1-4-13(24)10-21-15(25)23(20-19-21)16(26)22-14-6-5-12(18)9-11(14)7-8-17(22,2)3/h5-9H,4,10H2,1-3H3