2-[1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[1-(2,2-dimethylpropyl)-3-oxo-piperazin-2-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide CAS Name: 2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[[3-(1-pyrazolyl)phenyl]methyl]acetamide IUPAC Name: 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-keto-1-neopentyl-piperazin-2-yl)-N-(3-pyrazol-1-ylbenzyl)acetamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCNC(=O)C1CC(=O)NCC2=CC(=CC=C2)N3C=CC=N3

Isomeric SMILES

CC(C)(C)CN1CCNC(=O)C1CC(=O)NCC2=CC(=CC=C2)N3C=CC=N3

InChI

InChI=1S/C21H29N5O2/c1-21(2,3)15-25-11-9-22-20(28)18(25)13-19(27)23-14-16-6-4-7-17(12-16)26-10-5-8-24-26/h4-8,10,12,18H,9,11,13-15H2,1-3H3,(H,22,28)(H,23,27)