5-[1-(azepan-1-ylamino)propylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(4-chlorophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1-azepanylamino)propylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(4-chlorophenyl)barbituric acid Formula: C19H23ClN4O3 MolecularWeight: 390.86392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NN3CCCCCC3

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NN3CCCCCC3

InChI

InChI=1S/C19H23ClN4O3/c1-2-15(22-23-11-5-3-4-6-12-23)16-17(25)21-19(27)24(18(16)26)14-9-7-13(20)8-10-14/h7-10,22H,2-6,11-12H2,1H3,(H,21,25,27)