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

Systemtic Name: 1-[4-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C17H21BrN2O3 MolecularWeight: 381.26424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2C(=C(C(=N2)C)Br)C)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CN2C(=C(C(=N2)C)Br)C)O

InChI

InChI=1S/C17H21BrN2O3/c1-4-16(22)13-5-7-15(8-6-13)23-10-14(21)9-20-12(3)17(18)11(2)19-20/h5-8,14,21H,4,9-10H2,1-3H3