4-[[4-(3-phenylmethoxypropyl)phenyl]methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[[4-(3-phenylmethoxypropyl)phenyl]methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[[4-(3-benzyloxypropyl)phenyl]methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[[4-(3-phenylmethoxypropyl)phenyl]methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[[4-(3-phenylmethoxypropyl)phenyl]methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-[4-(3-benzoxypropyl)benzyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C21H21F3N2O2 MolecularWeight: 390.39885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCC2=CC=C(C=C2)CC3=C(NNC3=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COCCCC2=CC=C(C=C2)CC3=C(NNC3=O)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O2/c22-21(23,24)19-18(20(27)26-25-19)13-16-10-8-15(9-11-16)7-4-12-28-14-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-14H2,(H2,25,26,27)