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

Systemtic Name: (2S)-1-[2-[[4-(4-thiophen-2-ylpiperazin-1-yl)carbonylcyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[4-[4-(2-thienyl)piperazine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[1-oxo-2-[[4-[oxo-(4-thiophen-2-yl-1-piperazinyl)methyl]cyclohexyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[4-(4-thiophen-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[4-[4-(2-thienyl)piperazine-1-carbonyl]cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CS4)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CS4)C#N

InChI

InChI=1S/C22H31N5O2S/c23-15-19-3-1-9-27(19)20(28)16-24-18-7-5-17(6-8-18)22(29)26-12-10-25(11-13-26)21-4-2-14-30-21/h2,4,14,17-19,24H,1,3,5-13,16H2/t17?,18?,19-/m0/s1