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

Systemtic Name: 1-(2,4-dimethylphenyl)-3-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,4-dimethylphenyl)-3-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,4-dimethylphenyl)-3-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,4-dimethylphenyl)-3-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,4-dimethylphenyl)-3-(2,2-diphenylethyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C29H31N3 MolecularWeight: 421.57654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=NCCCCC3=C(N2)CC(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=NCCCCC3=C(N2)CC(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H31N3/c1-21-16-17-28(22(2)19-21)32-29-25(15-9-10-18-30-29)27(31-32)20-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,16-17,19,26,31H,9-10,15,18,20H2,1-2H3