N-[[3-(methoxymethyl)phenyl]methyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[[3-(methoxymethyl)phenyl]methyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[[3-(methoxymethyl)phenyl]methyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[[3-(methoxymethyl)phenyl]methyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[[3-(methoxymethyl)phenyl]methyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(6-keto-1H-pyridazin-3-yl)-N-[3-(methoxymethyl)benzyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C18H16F3N5O3 MolecularWeight: 407.34655

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC(=C1)CNC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

COCC1=CC=CC(=C1)CNC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C18H16F3N5O3/c1-29-10-12-4-2-3-11(7-12)8-22-17(28)13-9-23-26(16(13)18(19,20)21)14-5-6-15(27)25-24-14/h2-7,9H,8,10H2,1H3,(H,22,28)(H,25,27)