N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazino]propionamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N)C

InChI

InChI=1S/C21H31N5O2S/c1-16-11-17(2)14-26(13-16)20(28)15-25-8-6-24(7-9-25)5-3-19(27)23-21-18(12-22)4-10-29-21/h4,10,16-17H,3,5-9,11,13-15H2,1-2H3,(H,23,27)