3-methyl-1-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepan-2-one

Systemtic Name: 3-methyl-1-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepan-2-one Openeye Name: 3-methyl-1-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepan-2-one CAS Name: 3-methyl-1-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)-2-azepanone IUPAC Name: 3-methyl-1-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepan-2-one Traditional Name: 3-methyl-1-phenyl-4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepan-2-one Formula: C17H18F3N3O MolecularWeight: 337.33953

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCN(C1=O)C2=CC=CC=C2)C3=CC=NN3)C(F)(F)F

Isomeric SMILES

CC1(C(CCCN(C1=O)C2=CC=CC=C2)C3=CC=NN3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O/c1-16(17(18,19)20)13(14-9-10-21-22-14)8-5-11-23(15(16)24)12-6-3-2-4-7-12/h2-4,6-7,9-10,13H,5,8,11H2,1H3,(H,21,22)