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

Systemtic Name: 4-(3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 4-(3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile CAS Name: 4-(3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile IUPAC Name: 4-(3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 4-(3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzonitrile Formula: C18H20N4 MolecularWeight: 292.3782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C#N)C4CCC4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C#N)C4CCC4)C1

InChI

InChI=1S/C18H20N4/c19-12-13-7-9-15(10-8-13)22-18-16(6-1-2-11-20-18)17(21-22)14-4-3-5-14/h7-10,14,21H,1-6,11H2