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

Systemtic Name: cyanomethyl (E)-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]acrylic acid cyanomethyl ester Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2/c1-17-8-9-20(14-18(17)2)23-21(10-11-22(27)28-13-12-24)16-26(25-23)15-19-6-4-3-5-7-19/h3-11,14,16H,13,15H2,1-2H3/b11-10+