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

Systemtic Name: 3-[(3-methoxyphenyl)methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-[(3-methoxyphenyl)methyl]-1-(p-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-[(3-methoxyphenyl)methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-[(3-methoxyphenyl)methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-m-anisyl-1-(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:

CC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C22H25N3O/c1-16-9-11-18(12-10-16)25-22-20(8-3-4-13-23-22)21(24-25)15-17-6-5-7-19(14-17)26-2/h5-7,9-12,14,24H,3-4,8,13,15H2,1-2H3