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

Systemtic Name: 7-methoxy-2-[[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3,4,5,6-tetrahydro-2H-azepine Openeye Name: 7-methoxy-2-[[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3,4,5,6-tetrahydro-2H-azepine CAS Name: 7-methoxy-2-[[2-phenyl-5-(trifluoromethyl)-3-pyrazolyl]methyl]-3,4,5,6-tetrahydro-2H-azepine IUPAC Name: 7-methoxy-2-[[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3,4,5,6-tetrahydro-2H-azepine Traditional Name: 7-methoxy-2-[[2-phenyl-5-(trifluoromethyl)pyrazol-3-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=CC(=NN2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=NC(CCCC1)CC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F

InChI

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