4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]carbonyl-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]carbonyl-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]cyclohexanecarbonyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[[4-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]cyclohexyl]-oxomethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[4-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]cyclohexanecarbonyl]-N-phenyl-piperazine-1-carboxamide Formula: C25H34N6O3 MolecularWeight: 466.57586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC2CCC(CC2)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H34N6O3/c26-17-22-7-4-12-31(22)23(32)18-27-20-10-8-19(9-11-20)24(33)29-13-15-30(16-14-29)25(34)28-21-5-2-1-3-6-21/h1-3,5-6,19-20,22,27H,4,7-16,18H2,(H,28,34)/t19?,20?,22-/m0/s1