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

Systemtic Name: 1-cyclohexyl-5-[(2-methoxy-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[(2-methoxy-4-pyrrolidin-1-yl-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[2-methoxy-4-(1-pyrrolidinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-(2-methoxy-4-pyrrolidino-benzylidene)barbituric acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCCC2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCCC2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C22H27N3O4/c1-29-19-14-17(24-11-5-6-12-24)10-9-15(19)13-18-20(26)23-22(28)25(21(18)27)16-7-3-2-4-8-16/h9-10,13-14,16H,2-8,11-12H2,1H3,(H,23,26,28)