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

Systemtic Name: (E)-3-[3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one Openeye Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one CAS Name: (E)-3-[3-[(4-bromo-1-pyrazolyl)methyl]-4-methoxyphenyl]-1-cyclopropyl-2-propen-1-one IUPAC Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxyphenyl]-1-cyclopropylprop-2-en-1-one Traditional Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one Formula: C17H17BrN2O2 MolecularWeight: 361.23308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2CC2)CN3C=C(C=N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2CC2)CN3C=C(C=N3)Br

InChI

InChI=1S/C17H17BrN2O2/c1-22-17-7-3-12(2-6-16(21)13-4-5-13)8-14(17)10-20-11-15(18)9-19-20/h2-3,6-9,11,13H,4-5,10H2,1H3/b6-2+