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

Systemtic Name: (2S)-1-[2-[[4-(4-propanoylpiperazin-1-yl)carbonylcyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[4-(4-propanoylpiperazine-1-carbonyl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[1-oxo-2-[[4-[oxo-[4-(1-oxopropyl)-1-piperazinyl]methyl]cyclohexyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[4-(4-propanoylpiperazine-1-carbonyl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[4-(4-propionylpiperazine-1-carbonyl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N5O3/c1-2-19(27)24-10-12-25(13-11-24)21(29)16-5-7-17(8-6-16)23-15-20(28)26-9-3-4-18(26)14-22/h16-18,23H,2-13,15H2,1H3/t16?,17?,18-/m0/s1