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

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

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC=C3C#N

InChI

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