N'-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-N-[(2S)-2-ethylhexyl]butanediamide

Systemtic Name: N'-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-N-[(2S)-2-ethylhexyl]butanediamide Openeye Name: N'-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-[(2S)-2-ethylhexyl]butanediamide CAS Name: N'-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-N-[(2S)-2-ethylhexyl]butanediamide IUPAC Name: N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-[(2S)-2-ethylhexyl]butanediamide Traditional Name: N-[(2S)-2-ethylhexyl]-N'-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)succinamide Formula: C23H34N4O3 MolecularWeight: 414.54106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CCC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)CCC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C23H34N4O3/c1-5-7-11-18(6-2)16-24-20(28)14-15-21(29)25-22-17(3)26(4)27(23(22)30)19-12-9-8-10-13-19/h8-10,12-13,18H,5-7,11,14-16H2,1-4H3,(H,24,28)(H,25,29)/t18-/m0/s1