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

Systemtic Name: 1-(6-oxidanylidene-1H-pyridazin-3-yl)-N-[(3-piperidin-1-ylcarbonylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(6-oxo-1H-pyridazin-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[[3-[oxo(1-piperidinyl)methyl]phenyl]methyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(6-oxo-1H-pyridazin-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(6-keto-1H-pyridazin-3-yl)-N-[3-(piperidine-1-carbonyl)benzyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C22H21F3N6O3 MolecularWeight: 474.43575

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC=C2)CNC(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)CNC(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N6O3/c23-22(24,25)19-16(13-27-31(19)17-7-8-18(32)29-28-17)20(33)26-12-14-5-4-6-15(11-14)21(34)30-9-2-1-3-10-30/h4-8,11,13H,1-3,9-10,12H2,(H,26,33)(H,29,32)