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

Systemtic Name: (E)-2-cyano-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(2-oxolanylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(tetrahydrofurfuryl)acrylamide Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3CCCO3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H30N4O3/c1-3-13-35-26-12-11-21(15-20(26)2)27-23(19-32(31-27)24-8-5-4-6-9-24)16-22(17-29)28(33)30-18-25-10-7-14-34-25/h4-6,8-9,11-12,15-16,19,25H,3,7,10,13-14,18H2,1-2H3,(H,30,33)/b22-16+