(2S,5S)-5-ethynyl-1-[2-[(4-pyridin-3-yloxycyclohexyl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5S)-5-ethynyl-1-[2-[(4-pyridin-3-yloxycyclohexyl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5S)-5-ethynyl-1-[2-[[4-(3-pyridyloxy)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,5S)-5-ethynyl-1-[1-oxo-2-[[4-(3-pyridinyloxy)cyclohexyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5S)-5-ethynyl-1-[2-[(4-pyridin-3-yloxycyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5S)-5-ethynyl-1-[2-[[4-(3-pyridyloxy)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)CNC2CCC(CC2)OC3=CN=CC=C3)C#N

Isomeric SMILES

C#C[C@@H]1CC[C@H](N1C(=O)CNC2CCC(CC2)OC3=CN=CC=C3)C#N

InChI

InChI=1S/C20H24N4O2/c1-2-16-7-8-17(12-21)24(16)20(25)14-23-15-5-9-18(10-6-15)26-19-4-3-11-22-13-19/h1,3-4,11,13,15-18,23H,5-10,14H2/t15?,16-,17+,18?/m1/s1