2-[3-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[3-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzenecarbonitrile Openeye Name: 2-[3-(o-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 2-[3-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile IUPAC Name: 2-[3-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile Traditional Name: 2-[3-(o-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzonitrile Formula: C21H20N4 MolecularWeight: 328.4103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3CCCCN=C3N(N2)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=CC=C1C2=C3CCCCN=C3N(N2)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N4/c1-15-8-2-4-10-17(15)20-18-11-6-7-13-23-21(18)25(24-20)19-12-5-3-9-16(19)14-22/h2-5,8-10,12,24H,6-7,11,13H2,1H3