(E)-3-(5-bromanyl-2-ethoxy-phenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-ethoxy-phenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-ethoxyphenyl)-1-(1,3-dimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-ethoxyphenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-ethoxy-phenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)C2=CN(N=C2C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)C2=CN(N=C2C)C

InChI

InChI=1S/C16H17BrN2O2/c1-4-21-16-8-6-13(17)9-12(16)5-7-15(20)14-10-19(3)18-11(14)2/h5-10H,4H2,1-3H3/b7-5+