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

Systemtic Name: 4-(3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 4-(3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile CAS Name: 4-[3-(2-pyrazinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile IUPAC Name: 4-(3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 4-(3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzonitrile Formula: C18H16N6 MolecularWeight: 316.35984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C#N)C4=NC=CN=C4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C#N)C4=NC=CN=C4)C1

InChI

InChI=1S/C18H16N6/c19-11-13-4-6-14(7-5-13)24-18-15(3-1-2-8-22-18)17(23-24)16-12-20-9-10-21-16/h4-7,9-10,12,23H,1-3,8H2