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

Systemtic Name: (E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-ethyl-prop-2-enamide Openeye Name: (E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-ethyl-prop-2-enamide CAS Name: (E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-ethyl-2-propenamide IUPAC Name: (E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-ethylprop-2-enamide Traditional Name: (E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-ethyl-acrylamide Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC)C3=CC=CC=C3)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC)C3=CC=CC=C3)C

InChI

InChI=1S/C26H28N4O2/c1-4-6-14-32-23-12-13-24(19(3)15-23)25-21(16-20(17-27)26(31)28-5-2)18-30(29-25)22-10-8-7-9-11-22/h7-13,15-16,18H,4-6,14H2,1-3H3,(H,28,31)/b20-16+