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

Systemtic Name: 2-(3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 2-[3-(2-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 2-[3-(2-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile IUPAC Name: 2-(3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 2-[3-(2-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzonitrile Formula: C19H17N5 MolecularWeight: 315.37178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC=C3C#N)C4=CC=CC=N4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC=C3C#N)C4=CC=CC=N4)C1

InChI

InChI=1S/C19H17N5/c20-13-14-7-1-2-10-17(14)24-19-15(8-3-5-12-22-19)18(23-24)16-9-4-6-11-21-16/h1-2,4,6-7,9-11,23H,3,5,8,12H2