(E)-1-(3-bromanyl-4-methoxy-phenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(3-bromanyl-4-methoxy-phenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(3-bromo-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(3-bromo-4-methoxyphenyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(3-bromo-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(3-bromo-4-methoxy-phenyl)prop-2-en-1-one Formula: C20H17BrN2O2 MolecularWeight: 397.26518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H17BrN2O2/c1-25-20-10-8-17(11-18(20)21)19(24)9-7-16-12-22-23(14-16)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3/b9-7+