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

Systemtic Name: 4-[3-(5-bromanylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(5-bromo-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 4-[3-(5-bromo-2-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile IUPAC Name: 4-[3-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile Traditional Name: 4-[3-(5-bromo-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzonitrile Formula: C18H15BrN4S MolecularWeight: 399.3075

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C#N)C4=CC=C(S4)Br)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C#N)C4=CC=C(S4)Br)C1

InChI

InChI=1S/C18H15BrN4S/c19-16-9-8-15(24-16)17-14-3-1-2-10-21-18(14)23(22-17)13-6-4-12(11-20)5-7-13/h4-9,22H,1-3,10H2