3-[(1-cyclobutyl-5-oxidanylidene-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(1-cyclobutyl-5-oxidanylidene-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(1-cyclobutyl-5-oxo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-3-yl)methyl]benzonitrile CAS Name: 3-[(1-cyclobutyl-5-oxo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-3-yl)methyl]benzonitrile IUPAC Name: 3-[(1-cyclobutyl-5-oxo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-3-yl)methyl]benzonitrile Traditional Name: 3-[(1-cyclobutyl-5-keto-6,7,8,9-tetrahydro-2H-pyrazol[3,4-c]isoquinolin-3-yl)methyl]benzonitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(NN(C3=NC2=O)CC4=CC=CC(=C4)C#N)C5CCC5

Isomeric SMILES

C1CCC2=C(C1)C3=C(NN(C3=NC2=O)CC4=CC=CC(=C4)C#N)C5CCC5

InChI

InChI=1S/C22H22N4O/c23-12-14-5-3-6-15(11-14)13-26-21-19(20(25-26)16-7-4-8-16)17-9-1-2-10-18(17)22(27)24-21/h3,5-6,11,16,25H,1-2,4,7-10,13H2