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

Systemtic Name: 3-butyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-butyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-butyl-1-[3-(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:

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H22F3N3/c1-2-3-10-16-15-9-4-5-11-22-17(15)24(23-16)14-8-6-7-13(12-14)18(19,20)21/h6-8,12,23H,2-5,9-11H2,1H3