2-[1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]ethanamide

Systemtic Name: 2-[1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]ethanamide Openeye Name: 2-[1-(2,2-dimethylpropyl)-3-oxo-piperazin-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide CAS Name: 2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[2-(1-phenyl-4-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide Traditional Name: 2-(3-keto-1-neopentyl-piperazin-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCNC(=O)C1CC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CN1CCNC(=O)C1CC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2/c1-22(2,3)16-26-12-11-24-21(29)19(26)13-20(28)23-10-9-17-14-25-27(15-17)18-7-5-4-6-8-18/h4-8,14-15,19H,9-13,16H2,1-3H3,(H,23,28)(H,24,29)