1-(4-fluorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-fluorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-fluorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-fluorophenyl)-5-[(1-prop-2-ynyl-3-indolyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-fluorophenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-fluorophenyl)-5-[(1-propargylindol-3-yl)methylene]barbituric acid Formula: C22H14FN3O3 MolecularWeight: 387.363263

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14FN3O3/c1-2-11-25-13-14(17-5-3-4-6-19(17)25)12-18-20(27)24-22(29)26(21(18)28)16-9-7-15(23)8-10-16/h1,3-10,12-13H,11H2,(H,24,27,29)