(2S,5R)-5-ethynyl-1-[2-[3-(methylamino)propylamino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5R)-5-ethynyl-1-[2-[3-(methylamino)propylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5R)-5-ethynyl-1-[2-[3-(methylamino)propylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,5R)-5-ethynyl-1-[2-[3-(methylamino)propylamino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5R)-5-ethynyl-1-[2-[3-(methylamino)propylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5R)-5-ethynyl-1-[2-[3-(methylamino)propylamino]acetyl]pyrrolidine-2-carbonitrile Formula: C13H20N4O MolecularWeight: 248.3241

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCNCC(=O)N1C(CCC1C#N)C#C

Isomeric SMILES

CNCCCNCC(=O)N1[C@H](CC[C@H]1C#N)C#C

InChI

InChI=1S/C13H20N4O/c1-3-11-5-6-12(9-14)17(11)13(18)10-16-8-4-7-15-2/h1,11-12,15-16H,4-8,10H2,2H3/t11-,12-/m0/s1