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

Systemtic Name: 3-tert-butyl-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-tert-butyl-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-tert-butyl-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-tert-butyl-1-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-tert-butyl-1-o-phenetyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H27N3O MolecularWeight: 313.43718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C(C)(C)C

InChI

InChI=1S/C19H27N3O/c1-5-23-16-12-7-6-11-15(16)22-18-14(10-8-9-13-20-18)17(21-22)19(2,3)4/h6-7,11-12,21H,5,8-10,13H2,1-4H3