2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2,3-dimethoxy-3-oxidanyl-chromen-4-one

Systemtic Name: 2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2,3-dimethoxy-3-oxidanyl-chromen-4-one Openeye Name: 2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3-hydroxy-2,3-dimethoxy-chroman-4-one CAS Name: 2-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-3-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-3-hydroxy-2,3-dimethoxychromen-4-one Traditional Name: 2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3-hydroxy-2,3-dimethoxy-chroman-4-one Formula: C26H21BrN2O5 MolecularWeight: 521.35934

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(C(=O)C2=CC=CC=C2O1)(O)OC)C3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

COC1(C(C(=O)C2=CC=CC=C2O1)(O)OC)C3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H21BrN2O5/c1-32-25(31)24(30)20-10-6-7-11-22(20)34-26(25,33-2)21-16-29(19-8-4-3-5-9-19)28-23(21)17-12-14-18(27)15-13-17/h3-16,31H,1-2H3