5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[1-(piperonylamino)propylidene]barbituric acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)C2CCCCC2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)C2CCCCC2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O5/c1-2-15(22-11-13-8-9-16-17(10-13)29-12-28-16)18-19(25)23-21(27)24(20(18)26)14-6-4-3-5-7-14/h8-10,14,22H,2-7,11-12H2,1H3,(H,23,25,27)