(2S)-1-[2-[[4-(4-pyridin-2-yloxypiperazin-1-yl)carbonylcyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[[4-(4-pyridin-2-yloxypiperazin-1-yl)carbonylcyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[4-[4-(2-pyridyloxy)piperazine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[1-oxo-2-[[4-[oxo-[4-(2-pyridinyloxy)-1-piperazinyl]methyl]cyclohexyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[4-(4-pyridin-2-yloxypiperazine-1-carbonyl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[4-[4-(2-pyridyloxy)piperazine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C23H32N6O3 MolecularWeight: 440.53858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)C(=O)N3CCN(CC3)OC4=CC=CC=N4)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC2CCC(CC2)C(=O)N3CCN(CC3)OC4=CC=CC=N4)C#N

InChI

InChI=1S/C23H32N6O3/c24-16-20-4-3-11-29(20)22(30)17-26-19-8-6-18(7-9-19)23(31)27-12-14-28(15-13-27)32-21-5-1-2-10-25-21/h1-2,5,10,18-20,26H,3-4,6-9,11-15,17H2/t18?,19?,20-/m0/s1