2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]-N-(2-methylbutan-2-yl)ethanamide

Systemtic Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide Traditional Name: N-tert-amyl-2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]acetamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CN1CCNC(=O)C1C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C)(C)NC(=O)CN1CCNC(=O)C1C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H31N5O2/c1-6-22(4,5)24-18(28)14-26-13-12-23-21(29)20(26)19-15(2)25-27(16(19)3)17-10-8-7-9-11-17/h7-11,20H,6,12-14H2,1-5H3,(H,23,29)(H,24,28)