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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O2/c1-3-17-9-11-19(12-10-17)22-21(13-20(14-24)23(27)28-2)16-26(25-22)15-18-7-5-4-6-8-18/h4-13,16H,3,15H2,1-2H3/b20-13+