(E)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-cyano-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylamide Formula: C25H24ClN5O2 MolecularWeight: 461.94336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C#N)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

InChI

InChI=1S/C25H24ClN5O2/c1-17-22(18(2)31(29-17)21-6-4-3-5-7-21)14-19(16-27)25(32)28-23-15-20(26)8-9-24(23)30-10-12-33-13-11-30/h3-9,14-15H,10-13H2,1-2H3,(H,28,32)/b19-14+