(phenylmethyl) (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: benzyl (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid benzyl ester Formula: C21H19ClN2O2 MolecularWeight: 366.84076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O2/c1-16-19(12-13-20(25)26-15-18-10-6-3-7-11-18)21(22)24(23-16)14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3/b13-12+