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

Systemtic Name: 2-(3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 2-[3-(1-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 2-[3-(1-naphthalenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile IUPAC Name: 2-(3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 2-[3-(1-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzonitrile Formula: C24H20N4 MolecularWeight: 364.4424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC=C3C#N)C4=CC=CC5=CC=CC=C54)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC=C3C#N)C4=CC=CC5=CC=CC=C54)C1

InChI

InChI=1S/C24H20N4/c25-16-18-9-2-4-14-22(18)28-24-21(12-5-6-15-26-24)23(27-28)20-13-7-10-17-8-1-3-11-19(17)20/h1-4,7-11,13-14,27H,5-6,12,15H2