N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(6-keto-1H-pyridazin-3-yl)-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C23H25F3N6O3 MolecularWeight: 490.47821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F)N4CCCCC4

InChI

InChI=1S/C23H25F3N6O3/c1-35-16-7-5-15(6-8-16)18(31-11-3-2-4-12-31)14-27-22(34)17-13-28-32(21(17)23(24,25)26)19-9-10-20(33)30-29-19/h5-10,13,18H,2-4,11-12,14H2,1H3,(H,27,34)(H,30,33)