(4E)-4-[(5-methyl-1-phenyl-pyrazol-4-yl)-oxidanyl-methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(5-methyl-1-phenyl-pyrazol-4-yl)-oxidanyl-methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[hydroxy-(5-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-(3-morpholinopropyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[hydroxy-(5-methyl-1-phenyl-4-pyrazolyl)methylidene]-1-[3-(4-morpholinyl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[hydroxy-(5-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-(3-morpholinopropyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=CS5)O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=CS5)/O

InChI

InChI=1S/C26H28N4O4S/c1-18-20(17-27-30(18)19-7-3-2-4-8-19)24(31)22-23(21-9-5-16-35-21)29(26(33)25(22)32)11-6-10-28-12-14-34-15-13-28/h2-5,7-9,16-17,23,31H,6,10-15H2,1H3/b24-22+