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

Systemtic Name: cyanomethyl (E)-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]acrylic acid cyanomethyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C=CC(=O)OCC#N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2/C=C/C(=O)OCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3/c1-27-20-10-6-5-9-19(20)22-18(11-12-21(26)28-14-13-23)16-25(24-22)15-17-7-3-2-4-8-17/h2-12,16H,14-15H2,1H3/b12-11+