1-(4-chlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-chlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-chlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-chlorophenyl)-5-[[2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-chlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-chlorophenyl)-5-(2-methyl-4-pyrrolidino-benzylidene)barbituric acid Formula: C22H20ClN3O3 MolecularWeight: 409.8655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O3/c1-14-12-18(25-10-2-3-11-25)7-4-15(14)13-19-20(27)24-22(29)26(21(19)28)17-8-5-16(23)6-9-17/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,27,29)