N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-oxidanylidene-1-phenethyl-piperazin-2-yl)ethanamide

Systemtic Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-oxidanylidene-1-phenethyl-piperazin-2-yl)ethanamide Openeye Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-oxo-1-phenethyl-piperazin-2-yl)acetamide CAS Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-oxo-1-phenethyl-2-piperazinyl)acetamide IUPAC Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-oxo-1-phenethylpiperazin-2-yl)acetamide Traditional Name: N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3-keto-1-phenethyl-piperazin-2-yl)acetamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=C1)CNC(=O)CC2C(=O)NCCN2CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NNC(=C1)CNC(=O)CC2C(=O)NCCN2CCC3=CC=CC=C3

InChI

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