4-bromanyl-1-methyl-5-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxymethyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-1-methyl-5-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxymethyl]-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-1-methyl-5-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxymethyl]-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-1-methyl-5-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxymethyl]-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-1-methyl-5-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxymethyl]-2-phenylpyrazol-3-one Traditional Name: 4-bromo-1-methyl-5-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxymethyl]-2-phenyl-3-pyrazolin-3-one Formula: C20H18BrN5O2 MolecularWeight: 440.29322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=CC=C2)OCC3=C(C(=O)N(N3C)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=NC(=NN1C2=CC=CC=C2)OCC3=C(C(=O)N(N3C)C4=CC=CC=C4)Br

InChI

InChI=1S/C20H18BrN5O2/c1-14-22-20(23-25(14)15-9-5-3-6-10-15)28-13-17-18(21)19(27)26(24(17)2)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3