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

Systemtic Name: 2-cyano-3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: N-allyl-2-cyano-3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-3-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-N-prop-2-enyl-2-propenamide IUPAC Name: 2-cyano-3-[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-N-prop-2-enylprop-2-enamide Traditional Name: N-allyl-2-cyano-3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC=C)C3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC=C)C3=CC=CC=C3)C

InChI

InChI=1S/C26H26N4O2/c1-4-13-28-26(31)20(17-27)16-21-18-30(22-9-7-6-8-10-22)29-25(21)24-12-11-23(15-19(24)3)32-14-5-2/h4,6-12,15-16,18H,1,5,13-14H2,2-3H3,(H,28,31)