(2S,5S)-1-[2-(1-adamantylamino)ethanoyl]-5-ethynyl-pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5S)-1-[2-(1-adamantylamino)ethanoyl]-5-ethynyl-pyrrolidine-2-carbonitrile Openeye Name: (2S,5S)-1-[2-(1-adamantylamino)acetyl]-5-ethynyl-pyrrolidine-2-carbonitrile CAS Name: (2S,5S)-1-[2-(1-adamantylamino)-1-oxoethyl]-5-ethynyl-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5S)-1-[2-(1-adamantylamino)acetyl]-5-ethynylpyrrolidine-2-carbonitrile Traditional Name: (2S,5S)-1-[2-(1-adamantylamino)acetyl]-5-ethynyl-pyrrolidine-2-carbonitrile Formula: C19H25N3O MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)CNC23CC4CC(C2)CC(C4)C3)C#N

Isomeric SMILES

C#C[C@@H]1CC[C@H](N1C(=O)CNC23CC4CC(C2)CC(C4)C3)C#N

InChI

InChI=1S/C19H25N3O/c1-2-16-3-4-17(11-20)22(16)18(23)12-21-19-8-13-5-14(9-19)7-15(6-13)10-19/h1,13-17,21H,3-10,12H2/t13?,14?,15?,16-,17+,19?/m1/s1