1,3-bis(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1,3-bis(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1,3-bis(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1,3-bis(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1,3-bis(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1,3-bis(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H23N3 MolecularWeight: 317.42742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=NCCCCC3=C(N2)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=NCCCCC3=C(N2)C4=CC(=CC=C4)C

InChI

InChI=1S/C21H23N3/c1-15-7-5-9-17(13-15)20-19-11-3-4-12-22-21(19)24(23-20)18-10-6-8-16(2)14-18/h5-10,13-14,23H,3-4,11-12H2,1-2H3