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

Systemtic Name: (Z)-2-cyano-3-[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide Openeye Name: (Z)-3-[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(2-oxolanylmethyl)-2-propenamide IUPAC Name: (Z)-2-cyano-3-[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide Traditional Name: (Z)-3-[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(tetrahydrofurfuryl)acrylamide Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4)OCC=C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC3CCCO3)C4=CC=CC=C4)OCC=C

InChI

InChI=1S/C28H28N4O3/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/h3-6,8-9,11-12,15-16,19,25H,1,7,10,13-14,18H2,2H3,(H,30,33)/b22-16-