1-[4-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(COC2=C(C=C(C=C2)C(=O)C)OC)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(COC2=C(C=C(C=C2)C(=O)C)OC)O)C)Br

InChI

InChI=1S/C17H21BrN2O4/c1-10-17(18)11(2)20(19-10)8-14(22)9-24-15-6-5-13(12(3)21)7-16(15)23-4/h5-7,14,22H,8-9H2,1-4H3