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

Systemtic Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(3-methoxypropyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)acrylamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCOC)C3=CC=CC=C3

InChI

InChI=1S/C29H34N4O3/c1-3-4-5-9-19-36-27-15-13-23(14-16-27)28-25(22-33(32-28)26-11-7-6-8-12-26)20-24(21-30)29(34)31-17-10-18-35-2/h6-8,11-16,20,22H,3-5,9-10,17-19H2,1-2H3,(H,31,34)/b24-20+