7-methoxy-2-methyl-1-phenyl-2-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepane

Systemtic Name: 7-methoxy-2-methyl-1-phenyl-2-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepane Openeye Name: 7-methoxy-2-methyl-1-phenyl-2-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepane CAS Name: 7-methoxy-2-methyl-1-phenyl-2-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepane IUPAC Name: 7-methoxy-2-methyl-1-phenyl-2-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepane Traditional Name: 7-methoxy-2-methyl-1-phenyl-2-(1H-pyrazol-5-yl)-3-(trifluoromethyl)azepane Formula: C18H22F3N3O MolecularWeight: 353.38199

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCC(N1C2=CC=CC=C2)OC)C(F)(F)F)C3=CC=NN3

Isomeric SMILES

CC1(C(CCCC(N1C2=CC=CC=C2)OC)C(F)(F)F)C3=CC=NN3

InChI

InChI=1S/C18H22F3N3O/c1-17(15-11-12-22-23-15)14(18(19,20)21)9-6-10-16(25-2)24(17)13-7-4-3-5-8-13/h3-5,7-8,11-12,14,16H,6,9-10H2,1-2H3,(H,22,23)