4-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(3-bromo-5-ethoxy-4-hydroxy-phenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-benzyl)-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C19H19BrN2O3 MolecularWeight: 403.26976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CC2=C(NN(C2=O)C3=CC=CC=C3)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CC2=C(NN(C2=O)C3=CC=CC=C3)C)Br)O

InChI

InChI=1S/C19H19BrN2O3/c1-3-25-17-11-13(10-16(20)18(17)23)9-15-12(2)21-22(19(15)24)14-7-5-4-6-8-14/h4-8,10-11,21,23H,3,9H2,1-2H3