N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(3-oxidanylidenepiperazin-1-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(3-oxidanylidenepiperazin-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-1-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(3-oxo-1-piperazinyl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-1-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(3-ketopiperazino)acetamide Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2CCNC(=O)C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2CCNC(=O)C2)C

InChI

InChI=1S/C17H22N4O2/c1-13-8-14(2)10-15(9-13)21(6-3-4-18)17(23)12-20-7-5-19-16(22)11-20/h8-10H,3,5-7,11-12H2,1-2H3,(H,19,22)