2-[1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]ethanamide

Systemtic Name: 2-[1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]ethanamide Openeye Name: 2-[1-(2,2-dimethylpropyl)-3-oxo-piperazin-2-yl]-N-[(5-phenylisoxazol-3-yl)methyl]acetamide CAS Name: 2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(5-phenyl-3-isoxazolyl)methyl]acetamide IUPAC Name: 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide Traditional Name: 2-(3-keto-1-neopentyl-piperazin-2-yl)-N-[(5-phenylisoxazol-3-yl)methyl]acetamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCNC(=O)C1CC(=O)NCC2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CN1CCNC(=O)C1CC(=O)NCC2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-21(2,3)14-25-10-9-22-20(27)17(25)12-19(26)23-13-16-11-18(28-24-16)15-7-5-4-6-8-15/h4-8,11,17H,9-10,12-14H2,1-3H3,(H,22,27)(H,23,26)