(E)-3-(5-bromanyl-2-propoxy-phenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-propoxy-phenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-propoxy-phenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-propoxyphenyl)-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-propoxyphenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-propoxy-phenyl)-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=CC(=O)C2=NN(C=C2)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C/C(=O)C2=NN(C=C2)C

InChI

InChI=1S/C16H17BrN2O2/c1-3-10-21-16-7-5-13(17)11-12(16)4-6-15(20)14-8-9-19(2)18-14/h4-9,11H,3,10H2,1-2H3/b6-4+