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

Systemtic Name: (E)-2-cyano-N-(2-morpholin-4-ylethyl)-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-(2-morpholinoethyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[2-(4-morpholinyl)ethyl]-3-[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-morpholin-4-ylethyl)-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-(2-morpholinoethyl)acrylamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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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)NCCN3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCN3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N5O3/c1-2-16-36-26-10-8-22(9-11-26)27-24(21-33(31-27)25-6-4-3-5-7-25)19-23(20-29)28(34)30-12-13-32-14-17-35-18-15-32/h2-11,19,21H,1,12-18H2,(H,30,34)/b23-19+