(E)-3-(4-bromophenyl)-1-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-bromophenyl)-1-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-(3,5-dimethyl-1-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(4-bromophenyl)-1-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-bromophenyl)-1-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one Formula: C14H13BrN2O MolecularWeight: 305.16982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O/c1-10-9-11(2)17(16-10)14(18)8-5-12-3-6-13(15)7-4-12/h3-9H,1-2H3/b8-5+