(2S,5R)-5-ethynyl-1-[2-[(4-pyrimidin-2-yloxycyclohexyl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5R)-5-ethynyl-1-[2-[(4-pyrimidin-2-yloxycyclohexyl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5R)-5-ethynyl-1-[2-[(4-pyrimidin-2-yloxycyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,5R)-5-ethynyl-1-[1-oxo-2-[[4-(2-pyrimidinyloxy)cyclohexyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5R)-5-ethynyl-1-[2-[(4-pyrimidin-2-yloxycyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5R)-5-ethynyl-1-[2-[[4-(2-pyrimidyloxy)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)CNC2CCC(CC2)OC3=NC=CC=N3)C#N

Isomeric SMILES

C#C[C@H]1CC[C@H](N1C(=O)CNC2CCC(CC2)OC3=NC=CC=N3)C#N

InChI

InChI=1S/C19H23N5O2/c1-2-15-6-7-16(12-20)24(15)18(25)13-23-14-4-8-17(9-5-14)26-19-21-10-3-11-22-19/h1,3,10-11,14-17,23H,4-9,13H2/t14?,15-,16-,17?/m0/s1