ethyl 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]cyclohexyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H33N5O4 MolecularWeight: 419.51782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCC(CC2)NCC(=O)N3CCCC3C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCC(CC2)NCC(=O)N3CCC[C@H]3C#N

InChI

InChI=1S/C21H33N5O4/c1-2-30-21(29)25-12-10-24(11-13-25)20(28)16-5-7-17(8-6-16)23-15-19(27)26-9-3-4-18(26)14-22/h16-18,23H,2-13,15H2,1H3/t16?,17?,18-/m0/s1