5-[(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]methylene]-1-(4-ethylphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2,5-dimethyl-1-(1-naphthalenyl)-3-pyrrolyl]methylidene]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]methylene]-1-(4-ethylphenyl)barbituric acid Formula: C29H25N3O3 MolecularWeight: 463.5271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC5=CC=CC=C54)C)C(=O)NC2=O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC5=CC=CC=C54)C)C(=O)NC2=O

InChI

InChI=1S/C29H25N3O3/c1-4-20-12-14-23(15-13-20)32-28(34)25(27(33)30-29(32)35)17-22-16-18(2)31(19(22)3)26-11-7-9-21-8-5-6-10-24(21)26/h5-17H,4H2,1-3H3,(H,30,33,35)