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

Systemtic Name: (E)-2-cyano-N-(furan-2-ylmethyl)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-furylmethyl)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2-furanylmethyl)-3-[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(furan-2-ylmethyl)-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-furfuryl)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C30H30N4O3 MolecularWeight: 494.5842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C30H30N4O3/c1-2-3-4-8-17-36-27-15-13-23(14-16-27)29-25(22-34(33-29)26-10-6-5-7-11-26)19-24(20-31)30(35)32-21-28-12-9-18-37-28/h5-7,9-16,18-19,22H,2-4,8,17,21H2,1H3,(H,32,35)/b24-19+