3-[2-[4-(2,2-dimethylpropyl)phenoxy]pentanoylamino]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)benzamide

Systemtic Name: 3-[2-[4-(2,2-dimethylpropyl)phenoxy]pentanoylamino]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)benzamide Openeye Name: 3-[2-[4-(2,2-dimethylpropyl)phenoxy]pentanoylamino]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide CAS Name: 3-[[2-[4-(2,2-dimethylpropyl)phenoxy]-1-oxopentyl]amino]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide IUPAC Name: 3-[2-[4-(2,2-dimethylpropyl)phenoxy]pentanoylamino]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-3-[2-(4-neopentylphenoxy)pentanoylamino]benzamide Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3)OC4=CC=C(C=C4)CC(C)(C)C

Isomeric SMILES

CCCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3)OC4=CC=C(C=C4)CC(C)(C)C

InChI

InChI=1S/C32H36N4O4/c1-5-10-27(40-26-17-15-22(16-18-26)21-32(2,3)4)31(39)33-24-12-9-11-23(19-24)30(38)34-28-20-29(37)36(35-28)25-13-7-6-8-14-25/h6-9,11-19,27H,5,10,20-21H2,1-4H3,(H,33,39)(H,34,35,38)