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

Systemtic Name: 3-tert-butyl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-tert-butyl-1-(2-isopropylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-tert-butyl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-tert-butyl-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-tert-butyl-1-o-cumenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H29N3 MolecularWeight: 311.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C(C)(C)C

InChI

InChI=1S/C20H29N3/c1-14(2)15-10-6-7-12-17(15)23-19-16(11-8-9-13-21-19)18(22-23)20(3,4)5/h6-7,10,12,14,22H,8-9,11,13H2,1-5H3