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

Systemtic Name: (E)-2-cyano-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-[3-(4-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C29H24N4O2 MolecularWeight: 460.52646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N4O2/c1-2-17-31-29(34)24(19-30)18-25-20-33(26-11-7-4-8-12-26)32-28(25)23-13-15-27(16-14-23)35-21-22-9-5-3-6-10-22/h2-16,18,20H,1,17,21H2,(H,31,34)/b24-18+