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

Systemtic Name: 3-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-isobutyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2-methylpropyl)-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-isobutyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H22F3N3 MolecularWeight: 337.38259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCCN=C2N(N1)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)CC1=C2CCCCN=C2N(N1)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H22F3N3/c1-12(2)11-15-13-7-5-6-10-22-17(13)24(23-15)16-9-4-3-8-14(16)18(19,20)21/h3-4,8-9,12,23H,5-7,10-11H2,1-2H3