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

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]-1-(6-keto-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C19H14F3N7O2 MolecularWeight: 429.35537

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F)CN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F)CN4C=CN=C4

InChI

InChI=1S/C19H14F3N7O2/c20-19(21,22)17-14(9-24-29(17)15-4-5-16(30)27-26-15)18(31)25-13-3-1-2-12(8-13)10-28-7-6-23-11-28/h1-9,11H,10H2,(H,25,31)(H,27,30)