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

Systemtic Name: (E)-2-cyano-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-2-cyano-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-2-cyano-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC=C)C3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC=C)C3=CC=CC=C3)C

InChI

InChI=1S/C26H26N4O2/c1-4-13-28-26(31)21(17-27)16-22-18-30(23-9-7-6-8-10-23)29-25(22)20-11-12-24(19(3)15-20)32-14-5-2/h4,6-12,15-16,18H,1,5,13-14H2,2-3H3,(H,28,31)/b21-16+