(5S)-5-ethynyl-1-[2-[(1-methyl-4-pyridin-3-yloxy-cyclohexyl)amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (5S)-5-ethynyl-1-[2-[(1-methyl-4-pyridin-3-yloxy-cyclohexyl)amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (5S)-5-ethynyl-1-[2-[[1-methyl-4-(3-pyridyloxy)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (5S)-5-ethynyl-1-[2-[[1-methyl-4-(3-pyridinyloxy)cyclohexyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (5S)-5-ethynyl-1-[2-[(1-methyl-4-pyridin-3-yloxycyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (5S)-5-ethynyl-1-[2-[[1-methyl-4-(3-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=CN=CC=C2)NCC(=O)N3C(CCC3C#N)C#C

Isomeric SMILES

CC1(CCC(CC1)OC2=CN=CC=C2)NCC(=O)N3[C@@H](CCC3C#N)C#C

InChI

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