N-(2-cyclopropyl-2-oxidanyl-ethyl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide

Systemtic Name: N-(2-cyclopropyl-2-oxidanyl-ethyl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-(2-cyclopropyl-2-hydroxy-ethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: N-(2-cyclopropyl-2-hydroxyethyl)-6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinecarboxamide IUPAC Name: N-(2-cyclopropyl-2-hydroxyethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-(2-cyclopropyl-2-hydroxy-ethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carboxamide Formula: C22H24F3N5O3 MolecularWeight: 463.45287

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(CNC(=O)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F)O

Isomeric SMILES

C1CC1C(CNC(=O)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F)O

InChI

InChI=1S/C22H24F3N5O3/c23-22(24,25)16-4-2-1-3-15(16)21(33)30-11-9-29(10-12-30)19-8-7-17(27-28-19)20(32)26-13-18(31)14-5-6-14/h1-4,7-8,14,18,31H,5-6,9-13H2,(H,26,32)