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

Systemtic Name: (E)-3-[3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-[3-[(4-bromo-1-pyrazolyl)methyl]-4-methoxyphenyl]-1-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C18H17BrN4O2 MolecularWeight: 401.25718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)C=CC2=CC(=C(C=C2)OC)CN3C=C(C=N3)Br

Isomeric SMILES

CN1C=C(C=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CN3C=C(C=N3)Br

InChI

InChI=1S/C18H17BrN4O2/c1-22-10-15(8-20-22)17(24)5-3-13-4-6-18(25-2)14(7-13)11-23-12-16(19)9-21-23/h3-10,12H,11H2,1-2H3/b5-3+