phenyl 4-(4,5-diphenylpyrazol-1-yl)-2-methyl-butaneperoxoate

Systemtic Name: phenyl 4-(4,5-diphenylpyrazol-1-yl)-2-methyl-butaneperoxoate Openeye Name: phenyl 4-(4,5-diphenylpyrazol-1-yl)-2-methyl-butaneperoxoate CAS Name: 4-(4,5-diphenyl-1-pyrazolyl)-2-methylbutaneperoxoic acid phenyl ester IUPAC Name: phenyl 4-(4,5-diphenylpyrazol-1-yl)-2-methylbutaneperoxoate Traditional Name: 4-(4,5-diphenylpyrazol-1-yl)-2-methyl-peroxybutyric acid phenyl ester Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OOC4=CC=CC=C4

Isomeric SMILES

CC(CCN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OOC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-20(26(29)31-30-23-15-9-4-10-16-23)17-18-28-25(22-13-7-3-8-14-22)24(19-27-28)21-11-5-2-6-12-21/h2-16,19-20H,17-18H2,1H3