4-bromanyl-5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-5-[(2,2-dimethyl-3H-benzofuran-7-yl)oxymethyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-bromo-5-[(2,2-dimethyl-3H-benzofuran-7-yl)oxymethyl]-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1-methyl-2-phenylpyrazol-3-one Traditional Name: 4-bromo-5-[(2,2-dimethylcoumaran-7-yl)oxymethyl]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC3=C(C(=O)N(N3C)C4=CC=CC=C4)Br)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC3=C(C(=O)N(N3C)C4=CC=CC=C4)Br)C

InChI

InChI=1S/C21H21BrN2O3/c1-21(2)12-14-8-7-11-17(19(14)27-21)26-13-16-18(22)20(25)24(23(16)3)15-9-5-4-6-10-15/h4-11H,12-13H2,1-3H3