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

Systemtic Name: 4-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 4-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile CAS Name: 4-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile IUPAC Name: 4-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 4-(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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4/c1-2-15-14-5-3-4-10-18-16(14)20(19-15)13-8-6-12(11-17)7-9-13/h6-9,19H,2-5,10H2,1H3