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

Systemtic Name: (E)-2-cyano-3-[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-methoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[3-(4-methoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C28H24N4O2 MolecularWeight: 448.51576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O2/c1-20-15-25(34-2)13-14-26(20)27-23(19-32(31-27)24-11-7-4-8-12-24)16-22(17-29)28(33)30-18-21-9-5-3-6-10-21/h3-16,19H,18H2,1-2H3,(H,30,33)/b22-16+