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

Systemtic Name: 2-(3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 2-(3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile CAS Name: 2-(3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile IUPAC Name: 2-(3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 2-(3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzonitrile Formula: C18H22N4 MolecularWeight: 294.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H22N4/c1-18(2,3)16-14-9-6-7-11-20-17(14)22(21-16)15-10-5-4-8-13(15)12-19/h4-5,8,10,21H,6-7,9,11H2,1-3H3