(5E)-1-(3-chloranylpropyl)-3-cyclohexyl-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-1-(3-chloranylpropyl)-3-cyclohexyl-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-(3-chloropropyl)-3-cyclohexyl-5-[(4-octoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-1-(3-chloropropyl)-3-cyclohexyl-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-1-(3-chloropropyl)-3-cyclohexyl-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-(3-chloropropyl)-3-cyclohexyl-5-(4-octoxybenzylidene)barbituric acid Formula: C28H39ClN2O4 MolecularWeight: 503.07326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C3CCCCC3)CCCCl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)N(C2=O)C3CCCCC3)CCCCl

InChI

InChI=1S/C28H39ClN2O4/c1-2-3-4-5-6-10-20-35-24-16-14-22(15-17-24)21-25-26(32)30(19-11-18-29)28(34)31(27(25)33)23-12-8-7-9-13-23/h14-17,21,23H,2-13,18-20H2,1H3/b25-21+