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

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(4-morpholinophenyl)acrylamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(C=C3)N4CCOCC4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(C=C3)N4CCOCC4)/C#N

InChI

InChI=1S/C25H25N5O3/c1-18-23(25(32)30(28(18)2)22-6-4-3-5-7-22)27-24(31)20(17-26)16-19-8-10-21(11-9-19)29-12-14-33-15-13-29/h3-11,16H,12-15H2,1-2H3,(H,27,31)/b20-16+