phenacyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: phenacyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: phenacyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl (E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid phenacyl ester Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=CC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)/C=C/C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21ClN2O3/c1-16-20(17(2)26(25-16)14-19-10-6-7-11-21(19)24)12-13-23(28)29-15-22(27)18-8-4-3-5-9-18/h3-13H,14-15H2,1-2H3/b13-12+