(E)-1-(4-bromanyl-2-ethyl-pyrazol-3-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromanyl-2-ethyl-pyrazol-3-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-1-(4-bromo-2-ethyl-pyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-1-(4-bromo-2-ethyl-3-pyrazolyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-bromo-2-ethylpyrazol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-1-(4-bromo-2-ethyl-pyrazol-3-yl)prop-2-en-1-one Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)C(=O)C=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCN1C(=C(C=N1)Br)C(=O)/C=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H21BrN2O3/c1-3-25-22(18(23)14-24-25)19(26)11-9-16-10-12-20(21(13-16)27-2)28-15-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b11-9+