(E)-1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-benzyloxyphenyl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-1-(2,5-dimethyl-3-pyrazolyl)-3-(4-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-benzoxyphenyl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O2/c1-16-14-20(23(2)22-16)21(24)13-10-17-8-11-19(12-9-17)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/b13-10+