4-phenyl-1-[(E)-6,6,6-trideuterio-5-methoxy-2-methyl-5-(trideuteriomethyl)hex-3-en-2-yl]-1,2,4-triazolidine-3,5-dione

Systemtic Name: 4-phenyl-1-[(E)-6,6,6-trideuterio-5-methoxy-2-methyl-5-(trideuteriomethyl)hex-3-en-2-yl]-1,2,4-triazolidine-3,5-dione Openeye Name: 4-phenyl-1-[(E)-5,5,5-trideuterio-4-methoxy-1,1-dimethyl-4-(trideuteriomethyl)pent-2-enyl]-1,2,4-triazolidine-3,5-dione CAS Name: 4-phenyl-1-[(E)-6,6,6-trideuterio-5-methoxy-2-methyl-5-(trideuteriomethyl)hex-3-en-2-yl]-1,2,4-triazolidine-3,5-dione IUPAC Name: 4-phenyl-1-[(E)-6,6,6-trideuterio-5-methoxy-2-methyl-5-(trideuteriomethyl)hex-3-en-2-yl]-1,2,4-triazolidine-3,5-dione Traditional Name: 4-phenyl-1-[(E)-5,5,5-trideuterio-4-methoxy-1,1-dimethyl-4-(trideuteriomethyl)pent-2-enyl]urazole Formula: C17H23N3O3 MolecularWeight: 323.419791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC(C)(C)OC)N1C(=O)N(C(=O)N1)C2=CC=CC=C2

Isomeric SMILES

[2H]C([2H])([2H])C(/C=C/C(C)(C)N1C(=O)N(C(=O)N1)C2=CC=CC=C2)(C([2H])([2H])[2H])OC

InChI

InChI=1S/C17H23N3O3/c1-16(2,11-12-17(3,4)23-5)20-15(22)19(14(21)18-20)13-9-7-6-8-10-13/h6-12H,1-5H3,(H,18,21)/b12-11+/i3D3,4D3