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

Systemtic Name: 4-(3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 4-(3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile CAS Name: 4-(3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile IUPAC Name: 4-(3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 4-(3-propyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzonitrile Formula: C17H20N4 MolecularWeight: 280.3675

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H20N4/c1-2-5-16-15-6-3-4-11-19-17(15)21(20-16)14-9-7-13(12-18)8-10-14/h7-10,20H,2-6,11H2,1H3