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

Systemtic Name: methyl (E)-2-cyano-3-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-phenyl-3-(4-phenylphenyl)-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acrylic acid methyl ester Formula: C26H19N3O2 MolecularWeight: 405.44796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C26H19N3O2/c1-31-26(30)22(17-27)16-23-18-29(24-10-6-3-7-11-24)28-25(23)21-14-12-20(13-15-21)19-8-4-2-5-9-19/h2-16,18H,1H3/b22-16+