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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(CCCC1)CC2=CN(N=C2C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

COC1=NC(CCCC1)CC2=CN(N=C2C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H20F3N3O/c1-25-16-10-6-5-7-14(22-16)11-13-12-24(15-8-3-2-4-9-15)23-17(13)18(19,20)21/h2-4,8-9,12,14H,5-7,10-11H2,1H3