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

Systemtic Name: (E)-2-cyano-3-[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-3-[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-benzyl-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-3-[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-benzyl-2-cyano-acrylamide Formula: C30H26N4O2 MolecularWeight: 474.55304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)OCC=C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)OCC=C

InChI

InChI=1S/C30H26N4O2/c1-3-16-36-28-15-14-24(17-22(28)2)29-26(21-34(33-29)27-12-8-5-9-13-27)18-25(19-31)30(35)32-20-23-10-6-4-7-11-23/h3-15,17-18,21H,1,16,20H2,2H3,(H,32,35)/b25-18+