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

Systemtic Name: 2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-6-fluoranyl-benzenecarbonitrile hydrochloride Openeye Name: 2-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]-6-fluoro-benzonitrile hydrochloride CAS Name: 2-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]-6-fluorobenzonitrile hydrochloride IUPAC Name: 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]-6-fluorobenzonitrile hydrochloride Traditional Name: 2-fluoro-6-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]benzonitrile hydrochloride Formula: C15H16ClFN2O MolecularWeight: 294.751743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15FN2O.ClH/c1-15(2)7-10(6-11(19)8-15)18-14-5-3-4-13(16)12(14)9-17;/h3-6,18H,7-8H2,1-2H3;1H