2-tert-butyl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 2-tert-butyl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 2-tert-butyl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 2-tert-butyl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 2-tert-butyl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 2-tert-butyl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C17H22FN3 MolecularWeight: 287.375083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)N1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H22FN3/c1-17(2,3)21-16(12-4-6-13(18)7-5-12)14-8-10-19-11-9-15(14)20-21/h4-7,19H,8-11H2,1-3H3