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

Systemtic Name: 3-cyclohexyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-cyclohexyl-1-(o-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-cyclohexyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-cyclohexyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-cyclohexyl-1-(o-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H27N3 MolecularWeight: 309.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4CCCCC4

InChI

InChI=1S/C20H27N3/c1-15-9-5-6-13-18(15)23-20-17(12-7-8-14-21-20)19(22-23)16-10-3-2-4-11-16/h5-6,9,13,16,22H,2-4,7-8,10-12,14H2,1H3