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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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