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

Systemtic Name: 1-(2-ethoxyphenyl)-3-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-ethoxyphenyl)-3-(p-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-ethoxyphenyl)-3-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-ethoxyphenyl)-3-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-o-phenetyl-3-(p-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H25N3O/c1-3-26-20-10-5-4-9-19(20)25-22-18(8-6-7-15-23-22)21(24-25)17-13-11-16(2)12-14-17/h4-5,9-14,24H,3,6-8,15H2,1-2H3