3-[4-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-(2-isopropyl-5-methyl-cyclohexoxy)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(2-isopropyl-5-methyl-cyclohexoxy)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C21H25F3N2O2 MolecularWeight: 394.43061

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F)C(C)C

InChI

InChI=1S/C21H25F3N2O2/c1-12(2)15-6-4-13(3)10-19(15)28-18-8-5-14(11-16(18)21(22,23)24)17-7-9-20(27)26-25-17/h5,7-9,11-13,15,19H,4,6,10H2,1-3H3,(H,26,27)