2-[[(1S)-1-(2,4-dimethylphenyl)ethyl]amino]adamantane-2-carbonitrile

Systemtic Name: 2-[[(1S)-1-(2,4-dimethylphenyl)ethyl]amino]adamantane-2-carbonitrile Openeye Name: 2-[[(1S)-1-(2,4-dimethylphenyl)ethyl]amino]adamantane-2-carbonitrile CAS Name: 2-[[(1S)-1-(2,4-dimethylphenyl)ethyl]amino]-2-adamantanecarbonitrile IUPAC Name: 2-[[(1S)-1-(2,4-dimethylphenyl)ethyl]amino]adamantane-2-carbonitrile Traditional Name: 2-[[(1S)-1-(2,4-dimethylphenyl)ethyl]amino]adamantane-2-carbonitrile Formula: C21H28N2 MolecularWeight: 308.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC2(C3CC4CC(C3)CC2C4)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](C)NC2(C3CC4CC(C3)CC2C4)C#N)C

InChI

InChI=1S/C21H28N2/c1-13-4-5-20(14(2)6-13)15(3)23-21(12-22)18-8-16-7-17(10-18)11-19(21)9-16/h4-6,15-19,23H,7-11H2,1-3H3/t15-,16?,17?,18?,19?,21?/m0/s1