(E)-3-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-1-(1-ethylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-1-(1-ethylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-1-(1-ethylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-ethyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-ethylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-1-(1-ethylpyrazol-3-yl)prop-2-en-1-one Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)C=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3Br

Isomeric SMILES

CCN1C=CC(=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=CC=C3Br

InChI

InChI=1S/C22H21BrN2O3/c1-3-25-13-12-19(24-25)20(26)10-8-16-9-11-21(27-2)17(14-16)15-28-22-7-5-4-6-18(22)23/h4-14H,3,15H2,1-2H3/b10-8+