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

Systemtic Name: 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2-methoxyphenyl)-1-(p-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2-methoxyphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2-methoxyphenyl)-1-(p-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=CC=CC=C4OC

InChI

InChI=1S/C21H23N3O/c1-15-10-12-16(13-11-15)24-21-18(8-5-6-14-22-21)20(23-24)17-7-3-4-9-19(17)25-2/h3-4,7,9-13,23H,5-6,8,14H2,1-2H3