2-(3,5-dimethyl-1-adamantyl)-2-[(2-oxidanyl-1-phenyl-ethyl)amino]ethanenitrile

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-2-[(2-oxidanyl-1-phenyl-ethyl)amino]ethanenitrile Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-2-[(2-hydroxy-1-phenyl-ethyl)amino]acetonitrile CAS Name: 2-(3,5-dimethyl-1-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetonitrile IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetonitrile Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-2-[(2-hydroxy-1-phenyl-ethyl)amino]acetonitrile Formula: C22H30N2O MolecularWeight: 338.4864

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(C#N)NC(CO)C4=CC=CC=C4)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C(C#N)NC(CO)C4=CC=CC=C4)C

InChI

InChI=1S/C22H30N2O/c1-20-8-16-9-21(2,13-20)15-22(10-16,14-20)19(11-23)24-18(12-25)17-6-4-3-5-7-17/h3-7,16,18-19,24-25H,8-10,12-15H2,1-2H3