2-(4-bromophenyl)-5-methyl-5-pentyl-1,2,4-triazolidin-3-one

Systemtic Name: 2-(4-bromophenyl)-5-methyl-5-pentyl-1,2,4-triazolidin-3-one Openeye Name: 2-(4-bromophenyl)-5-methyl-5-pentyl-1,2,4-triazolidin-3-one CAS Name: 2-(4-bromophenyl)-5-methyl-5-pentyl-1,2,4-triazolidin-3-one IUPAC Name: 2-(4-bromophenyl)-5-methyl-5-pentyl-1,2,4-triazolidin-3-one Traditional Name: 5-amyl-2-(4-bromophenyl)-5-methyl-1,2,4-triazolidin-3-one Formula: C14H20BrN3O MolecularWeight: 326.2321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(NC(=O)N(N1)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCCCCC1(NC(=O)N(N1)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C14H20BrN3O/c1-3-4-5-10-14(2)16-13(19)18(17-14)12-8-6-11(15)7-9-12/h6-9,17H,3-5,10H2,1-2H3,(H,16,19)