(2S,5S)-5-ethynyl-1-[2-[(1-methyl-4-pyridin-2-yloxy-cyclohexyl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5S)-5-ethynyl-1-[2-[(1-methyl-4-pyridin-2-yloxy-cyclohexyl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5S)-5-ethynyl-1-[2-[[1-methyl-4-(2-pyridyloxy)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S,5S)-5-ethynyl-1-[2-[[1-methyl-4-(2-pyridinyloxy)cyclohexyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5S)-5-ethynyl-1-[2-[(1-methyl-4-pyridin-2-yloxycyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5S)-5-ethynyl-1-[2-[[1-methyl-4-(2-pyridyloxy)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)OC2=CC=CC=N2)NCC(=O)N3C(CCC3C#N)C#C

Isomeric SMILES

CC1(CCC(CC1)OC2=CC=CC=N2)NCC(=O)N3[C@@H](CC[C@H]3C#N)C#C

InChI

InChI=1S/C21H26N4O2/c1-3-16-7-8-17(14-22)25(16)20(26)15-24-21(2)11-9-18(10-12-21)27-19-6-4-5-13-23-19/h1,4-6,13,16-18,24H,7-12,15H2,2H3/t16-,17+,18?,21?/m1/s1