1-[4-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2S)-3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](CN2C(=CC(=N2)C)C)O

InChI

InChI=1S/C17H22N2O3/c1-4-17(21)14-5-7-16(8-6-14)22-11-15(20)10-19-13(3)9-12(2)18-19/h5-9,15,20H,4,10-11H2,1-3H3/t15-/m0/s1