3-(4-methylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 3-(4-methylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 2-isopropyl-3-(p-tolyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 3-(4-methylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 3-(4-methylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 2-isopropyl-3-(p-tolyl)-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C17H23N3 MolecularWeight: 269.38462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3CCNCCC3=NN2C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3CCNCCC3=NN2C(C)C

InChI

InChI=1S/C17H23N3/c1-12(2)20-17(14-6-4-13(3)5-7-14)15-8-10-18-11-9-16(15)19-20/h4-7,12,18H,8-11H2,1-3H3