(2S,5S)-5-ethynyl-1-[2-[(4-iodophenyl)methylamino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5S)-5-ethynyl-1-[2-[(4-iodophenyl)methylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5S)-5-ethynyl-1-[2-[(4-iodophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,5S)-5-ethynyl-1-[2-[(4-iodophenyl)methylamino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5S)-5-ethynyl-1-[2-[(4-iodophenyl)methylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5S)-5-ethynyl-1-[2-[(4-iodobenzyl)amino]acetyl]pyrrolidine-2-carbonitrile Formula: C16H16IN3O MolecularWeight: 393.22221

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)CNCC2=CC=C(C=C2)I)C#N

Isomeric SMILES

C#C[C@@H]1CC[C@H](N1C(=O)CNCC2=CC=C(C=C2)I)C#N

InChI

InChI=1S/C16H16IN3O/c1-2-14-7-8-15(9-18)20(14)16(21)11-19-10-12-3-5-13(17)6-4-12/h1,3-6,14-15,19H,7-8,10-11H2/t14-,15+/m1/s1