N-(4-methylphenyl)-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(4-methylphenyl)-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(6-oxo-1H-pyridazin-3-yl)-N-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(4-methylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-methylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(6-keto-1H-pyridazin-3-yl)-N-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C16H12F3N5O2 MolecularWeight: 363.29399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N5O2/c1-9-2-4-10(5-3-9)21-15(26)11-8-20-24(14(11)16(17,18)19)12-6-7-13(25)23-22-12/h2-8H,1H3,(H,21,26)(H,23,25)