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

Systemtic Name: (E)-2-cyano-N-(phenylmethyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-benzyl-3-[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-N-(phenylmethyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-3-[3-(4-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-benzyl-2-cyano-acrylamide Formula: C33H26N4O2 MolecularWeight: 510.58514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C33H26N4O2/c34-21-28(33(38)35-22-25-10-4-1-5-11-25)20-29-23-37(30-14-8-3-9-15-30)36-32(29)27-16-18-31(19-17-27)39-24-26-12-6-2-7-13-26/h1-20,23H,22,24H2,(H,35,38)/b28-20+