3-(2-methylpropyl)-1-[4-(trifluoromethyloxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-(2-methylpropyl)-1-[4-(trifluoromethyloxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-isobutyl-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-methylpropyl)-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2-methylpropyl)-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-isobutyl-1-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H22F3N3O MolecularWeight: 353.38199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)CC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H22F3N3O/c1-12(2)11-16-15-5-3-4-10-22-17(15)24(23-16)13-6-8-14(9-7-13)25-18(19,20)21/h6-9,12,23H,3-5,10-11H2,1-2H3