1-[[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-4-yl]methyl]azepan-2-imine

Systemtic Name: 1-[[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-4-yl]methyl]azepan-2-imine Openeye Name: 1-[[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-4-yl]methyl]azepan-2-imine CAS Name: 1-[[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-4-yl]methyl]-2-azepanimine IUPAC Name: 1-[[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-4-yl]methyl]azepan-2-imine Traditional Name: [1-[[1-phenyl-3-(trifluoromethyl)-2-pyrazolin-4-yl]methyl]azepan-2-ylidene]amine Formula: C17H21F3N4 MolecularWeight: 338.37065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=N)N(CC1)CC2CN(N=C2C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=N)N(CC1)CC2CN(N=C2C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C17H21F3N4/c18-17(19,20)16-13(11-23-10-6-2-5-9-15(23)21)12-24(22-16)14-7-3-1-4-8-14/h1,3-4,7-8,13,21H,2,5-6,9-12H2