5-[[4-(azepan-1-yl)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[4-(azepan-1-yl)phenyl]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-(1-azepanyl)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-(azepan-1-yl)benzylidene]-1,3-dimethyl-barbituric acid Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C(=O)N(C1=O)C

InChI

InChI=1S/C19H23N3O3/c1-20-17(23)16(18(24)21(2)19(20)25)13-14-7-9-15(10-8-14)22-11-5-3-4-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3