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

Systemtic Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide Openeye Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(3-methoxypropyl)-2-propenamide IUPAC Name: (E)-3-[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)acrylamide Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3/c1-3-4-17-34-25-13-11-21(12-14-25)26-23(20-31(30-26)24-9-6-5-7-10-24)18-22(19-28)27(32)29-15-8-16-33-2/h5-7,9-14,18,20H,3-4,8,15-17H2,1-2H3,(H,29,32)/b22-18+