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

Systemtic Name: N-[4-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]phenyl]acetamide CAS Name: N-[4-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]phenyl]acetamide IUPAC Name: N-[4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide Traditional Name: N-[4-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]phenyl]acetamide Formula: C16H20BrN3O3 MolecularWeight: 382.2523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(COC2=CC=C(C=C2)NC(=O)C)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(COC2=CC=C(C=C2)NC(=O)C)O)C)Br

InChI

InChI=1S/C16H20BrN3O3/c1-10-16(17)11(2)20(19-10)8-14(22)9-23-15-6-4-13(5-7-15)18-12(3)21/h4-7,14,22H,8-9H2,1-3H3,(H,18,21)