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

Systemtic Name: 4-(3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 4-[3-(1-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 4-[3-(1-naphthalenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile IUPAC Name: 4-(3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 4-[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=C(C=C3)C#N)C4=CC=CC5=CC=CC=C54)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C#N)C4=CC=CC5=CC=CC=C54)C1

InChI

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