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

Systemtic Name: (E)-2-cyano-3-[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-ethoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]-N-(3-methoxypropyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-ethoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)acrylamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCOC)C3=CC=CC=C3)C

InChI

InChI=1S/C26H28N4O3/c1-4-33-23-11-12-24(19(2)15-23)25-21(18-30(29-25)22-9-6-5-7-10-22)16-20(17-27)26(31)28-13-8-14-32-3/h5-7,9-12,15-16,18H,4,8,13-14H2,1-3H3,(H,28,31)/b20-16+