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

Systemtic Name: 2-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 2-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile CAS Name: 2-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile IUPAC Name: 2-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 2-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzonitrile Formula: C16H18N4 MolecularWeight: 266.34092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCN=C2N(N1)C3=CC=CC=C3C#N

Isomeric SMILES

CCC1=C2CCCCN=C2N(N1)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H18N4/c1-2-14-13-8-5-6-10-18-16(13)20(19-14)15-9-4-3-7-12(15)11-17/h3-4,7,9,19H,2,5-6,8,10H2,1H3