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

Systemtic Name: 2-(3-thiophen-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 2-[3-(3-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 2-[3-(3-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile IUPAC Name: 2-(3-thiophen-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 2-[3-(3-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzonitrile Formula: C18H16N4S MolecularWeight: 320.41144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4S/c19-11-13-5-1-2-7-16(13)22-18-15(6-3-4-9-20-18)17(21-22)14-8-10-23-12-14/h1-2,5,7-8,10,12,21H,3-4,6,9H2