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

Systemtic Name: 1-(4-methylphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-phenyl-1-(p-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-methylphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-methylphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-phenyl-1-(p-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H21N3 MolecularWeight: 303.40084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3/c1-15-10-12-17(13-11-15)23-20-18(9-5-6-14-21-20)19(22-23)16-7-3-2-4-8-16/h2-4,7-8,10-13,22H,5-6,9,14H2,1H3