(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-N-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-morpholinophenyl)acrylamide Formula: C29H25N5O2 MolecularWeight: 475.5411

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C29H25N5O2/c30-20-23(29(35)31-25-11-13-26(14-12-25)33-15-17-36-18-16-33)19-24-21-34(27-9-5-2-6-10-27)32-28(24)22-7-3-1-4-8-22/h1-14,19,21H,15-18H2,(H,31,35)/b23-19+