5-tert-butyl-4-[(2-phenylmethoxyphenyl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-tert-butyl-4-[(2-phenylmethoxyphenyl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[(2-benzyloxyphenyl)methyl]-5-tert-butyl-1,2-dihydropyrazol-3-one CAS Name: 5-tert-butyl-4-[(2-phenylmethoxyphenyl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-tert-butyl-4-[(2-phenylmethoxyphenyl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-(2-benzoxybenzyl)-5-tert-butyl-3-pyrazolin-3-one Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)NN1)CC2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C(=O)NN1)CC2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2/c1-21(2,3)19-17(20(24)23-22-19)13-16-11-7-8-12-18(16)25-14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H2,22,23,24)