2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-3,6-dimethyl-benzenecarbonitrile hydrochloride

Systemtic Name: 2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-3,6-dimethyl-benzenecarbonitrile hydrochloride Openeye Name: 2-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]-3,6-dimethyl-benzonitrile hydrochloride CAS Name: 2-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]-3,6-dimethylbenzonitrile hydrochloride IUPAC Name: 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-3,6-dimethylbenzonitrile hydrochloride Traditional Name: 2-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]-3,6-dimethyl-benzonitrile hydrochloride Formula: C17H21ClN2O MolecularWeight: 304.81444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)NC2=CC(=O)CC(C2)(C)C)C#N.Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)C)NC2=CC(=O)CC(C2)(C)C)C#N.Cl

InChI

InChI=1S/C17H20N2O.ClH/c1-11-5-6-12(2)16(15(11)10-18)19-13-7-14(20)9-17(3,4)8-13;/h5-7,19H,8-9H2,1-4H3;1H