3-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-methyl-amino]propanenitrile

Systemtic Name: 3-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-methyl-amino]propanenitrile Openeye Name: 3-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)-methyl-amino]propanenitrile CAS Name: 3-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)-methylamino]propanenitrile IUPAC Name: 3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)-methylamino]propanenitrile Traditional Name: 3-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)-methyl-amino]propionitrile Formula: C12H18N2O MolecularWeight: 206.28412

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)N(C)CCC#N)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)N(C)CCC#N)C

InChI

InChI=1S/C12H18N2O/c1-12(2)8-10(7-11(15)9-12)14(3)6-4-5-13/h7H,4,6,8-9H2,1-3H3