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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-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)C)N2C3=NCCCCC3=C(N2)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O/c1-15-7-8-16(2)20(14-15)25-22-19(6-4-5-13-23-22)21(24-25)17-9-11-18(26-3)12-10-17/h7-12,14,24H,4-6,13H2,1-3H3