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

Systemtic Name: (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-oxolanylmethyl)-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-3-[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofurfuryl)acrylamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-2-14-33-24-12-10-20(11-13-24)26-22(19-31(30-26)23-7-4-3-5-8-23)16-21(17-28)27(32)29-18-25-9-6-15-34-25/h2-5,7-8,10-13,16,19,25H,1,6,9,14-15,18H2,(H,29,32)/b21-16+