cyanomethyl (E)-3-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid cyanomethyl ester Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O2/c1-17-7-9-19(10-8-17)22-20(11-12-21(26)27-14-13-23)16-25(24-22)15-18-5-3-2-4-6-18/h2-12,16H,14-15H2,1H3/b12-11+