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

Systemtic Name: (E)-2-cyano-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-N-(2-oxolanylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-N-(tetrahydrofurfuryl)acrylamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3/c1-3-33-25-12-11-20(14-19(25)2)26-22(18-31(30-26)23-8-5-4-6-9-23)15-21(16-28)27(32)29-17-24-10-7-13-34-24/h4-6,8-9,11-12,14-15,18,24H,3,7,10,13,17H2,1-2H3,(H,29,32)/b21-15+