(E)-2-cyano-N-(3-methoxyphenyl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-methoxyphenyl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3-methoxyphenyl)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-N-(3-methoxyphenyl)acrylamide Formula: C27H22N4O2 MolecularWeight: 434.48918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H22N4O2/c1-33-25-14-8-13-24(16-25)29-27(32)22(17-28)15-23-19-31(18-20-9-4-2-5-10-20)30-26(23)21-11-6-3-7-12-21/h2-16,19H,18H2,1H3,(H,29,32)/b22-15+