(3S,5R)-3,5-dimethyladamantan-1-amine; 2-(2-oxidanylidene-1-phenyl-5-pyridin-2-yl-pyridin-3-yl)benzenecarbonitrile; hydrochloride

Systemtic Name: (3S,5R)-3,5-dimethyladamantan-1-amine; 2-(2-oxidanylidene-1-phenyl-5-pyridin-2-yl-pyridin-3-yl)benzenecarbonitrile; hydrochloride Openeye Name: (3S,5R)-3,5-dimethyladamantan-1-amine; 2-[2-oxo-1-phenyl-5-(2-pyridyl)-3-pyridyl]benzonitrile; hydrochloride CAS Name: (3S,5R)-3,5-dimethyl-1-adamantanamine; 2-[2-oxo-1-phenyl-5-(2-pyridinyl)-3-pyridinyl]benzonitrile; hydrochloride IUPAC Name: (3S,5R)-3,5-dimethyladamantan-1-amine; 2-(2-oxo-1-phenyl-5-pyridin-2-ylpyridin-3-yl)benzonitrile; hydrochloride Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]amine; 2-[2-keto-1-phenyl-5-(2-pyridyl)-3-pyridyl]benzonitrile; hydrochloride Formula: C35H37ClN4O MolecularWeight: 565.14748

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)N)C.C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4.Cl

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C.C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4.Cl

InChI

InChI=1S/C23H15N3O.C12H21N.ClH/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19;1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h1-14,16H;9H,3-8,13H2,1-2H3;1H/t;9?,10-,11+,12?;