(E)-1-(3,4-dimethoxyphenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dimethoxyphenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dimethoxyphenyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one Formula: C21H20N2O3 MolecularWeight: 348.3951

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-25-20-11-9-18(12-21(20)26-2)19(24)10-8-17-13-22-23(15-17)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3/b10-8+