(E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-1-(3-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-1-(3-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-(3-methoxyphenyl)prop-2-en-1-one Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=CC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H22N2O2/c1-16-21(12-13-22(25)19-10-7-11-20(14-19)26-3)17(2)24(23-16)15-18-8-5-4-6-9-18/h4-14H,15H2,1-3H3/b13-12+