7-methoxy-2-methyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4,5,6-tetrahydroazepine

Systemtic Name: 7-methoxy-2-methyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4,5,6-tetrahydroazepine Openeye Name: 7-methoxy-2-methyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4,5,6-tetrahydroazepine CAS Name: 7-methoxy-2-methyl-2-[1-phenyl-3-(trifluoromethyl)-4-pyrazolyl]-3,4,5,6-tetrahydroazepine IUPAC Name: 7-methoxy-2-methyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4,5,6-tetrahydroazepine Traditional Name: 7-methoxy-2-methyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4,5,6-tetrahydroazepine Formula: C18H20F3N3O MolecularWeight: 351.36611

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC(=N1)OC)C2=CN(N=C2C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1(CCCCC(=N1)OC)C2=CN(N=C2C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H20F3N3O/c1-17(11-7-6-10-15(22-17)25-2)14-12-24(13-8-4-3-5-9-13)23-16(14)18(19,20)21/h3-5,8-9,12H,6-7,10-11H2,1-2H3