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

Systemtic Name: 3-[4-(2-methylbutan-2-yl)phenoxy]-N-(5-oxidanylidene-2-phenyl-1H-pyrazol-3-yl)benzamide Openeye Name: 3-[4-(1,1-dimethylpropyl)phenoxy]-N-(5-oxo-2-phenyl-1H-pyrazol-3-yl)benzamide CAS Name: 3-[4-(2-methylbutan-2-yl)phenoxy]-N-(5-oxo-2-phenyl-1H-pyrazol-3-yl)benzamide IUPAC Name: 3-[4-(2-methylbutan-2-yl)phenoxy]-N-(5-oxo-2-phenyl-1H-pyrazol-3-yl)benzamide Traditional Name: 3-(4-tert-amylphenoxy)-N-(5-keto-2-phenyl-3-pyrazolin-3-yl)benzamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NC3=CC(=O)NN3C4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NC3=CC(=O)NN3C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-4-27(2,3)20-13-15-22(16-14-20)33-23-12-8-9-19(17-23)26(32)28-24-18-25(31)29-30(24)21-10-6-5-7-11-21/h5-18H,4H2,1-3H3,(H,28,32)(H,29,31)