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

Systemtic Name: (2S)-1-[2-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylcyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[2-[[4-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-oxomethyl]cyclohexyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)C(=O)N3CCN(CC3)C(=O)C4CC4)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC2CCC(CC2)C(=O)N3CCN(CC3)C(=O)C4CC4)C#N

InChI

InChI=1S/C22H33N5O3/c23-14-19-2-1-9-27(19)20(28)15-24-18-7-5-17(6-8-18)22(30)26-12-10-25(11-13-26)21(29)16-3-4-16/h16-19,24H,1-13,15H2/t17?,18?,19-/m0/s1