(2S)-1-[2-[[4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)carbonylcyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[[4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)carbonylcyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[1-oxo-2-[[4-[oxo-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]methyl]cyclohexyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[4-(4-nicotinoylpiperazine-1-carbonyl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C24H32N6O3 MolecularWeight: 452.54928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)C(=O)N3CCN(CC3)C(=O)C4=CN=CC=C4)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC2CCC(CC2)C(=O)N3CCN(CC3)C(=O)C4=CN=CC=C4)C#N

InChI

InChI=1S/C24H32N6O3/c25-15-21-4-2-10-30(21)22(31)17-27-20-7-5-18(6-8-20)23(32)28-11-13-29(14-12-28)24(33)19-3-1-9-26-16-19/h1,3,9,16,18,20-21,27H,2,4-8,10-14,17H2/t18?,20?,21-/m0/s1