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

Systemtic Name: 3-tert-butyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-tert-butyl-1-(o-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-tert-butyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-tert-butyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-tert-butyl-1-(o-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H25N3 MolecularWeight: 283.4112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3/c1-13-9-5-6-11-15(13)21-17-14(10-7-8-12-19-17)16(20-21)18(2,3)4/h5-6,9,11,20H,7-8,10,12H2,1-4H3