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

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-(1,3,5-trimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

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