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

Systemtic Name: (E)-2-cyano-N-methyl-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-methyl-prop-2-enamide CAS Name: (E)-2-cyano-N-methyl-3-[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-methyl-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-3-[3-(4-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-methyl-acrylamide Formula: C27H22N4O2 MolecularWeight: 434.48918

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CNC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)/C#N

InChI

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