2-(4-oxidanylidene-2,2a,3,8b-tetrahydro-1H-cyclobuta[c]isoquinolin-1-yl)ethanenitrile

Systemtic Name: 2-(4-oxidanylidene-2,2a,3,8b-tetrahydro-1H-cyclobuta[c]isoquinolin-1-yl)ethanenitrile Openeye Name: 2-(4-oxo-2,2a,3,8b-tetrahydro-1H-cyclobuta[c]isoquinolin-1-yl)acetonitrile CAS Name: 2-(4-oxo-2,2a,3,8b-tetrahydro-1H-cyclobuta[c]isoquinolin-1-yl)acetonitrile IUPAC Name: 2-(4-oxo-2,2a,3,8b-tetrahydro-1H-cyclobuta[c]isoquinolin-1-yl)acetonitrile Traditional Name: 2-(4-keto-2,2a,3,8b-tetrahydro-1H-cyclobut[c]isoquinolin-1-yl)acetonitrile Formula: C13H12N2O MolecularWeight: 212.24718

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C1NC(=O)C3=CC=CC=C23)CC#N

Isomeric SMILES

C1C(C2C1NC(=O)C3=CC=CC=C23)CC#N

InChI

InChI=1S/C13H12N2O/c14-6-5-8-7-11-12(8)9-3-1-2-4-10(9)13(16)15-11/h1-4,8,11-12H,5,7H2,(H,15,16)