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

Systemtic Name: 3-(1-benzofuran-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(benzofuran-2-yl)-1-(p-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-benzofuranyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(1-benzofuran-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(benzofuran-2-yl)-1-(p-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H21N3O/c1-15-9-11-17(12-10-15)25-22-18(7-4-5-13-23-22)21(24-25)20-14-16-6-2-3-8-19(16)26-20/h2-3,6,8-12,14,24H,4-5,7,13H2,1H3