N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-(6-keto-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C18H21F3N6O3 MolecularWeight: 426.39295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C18H21F3N6O3/c19-18(20,21)16-12(11-23-27(16)13-6-7-14(28)25-24-13)17(30)22-8-4-10-26-9-3-1-2-5-15(26)29/h6-7,11H,1-5,8-10H2,(H,22,30)(H,25,28)