5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one

Systemtic Name: 5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one Openeye Name: 5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one CAS Name: 5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one IUPAC Name: 5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one Traditional Name: 5-heptyl-5-methyl-2-phenyl-1,2,4-triazolidin-3-one Formula: C16H25N3O MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(NC(=O)N(N1)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCC1(NC(=O)N(N1)C2=CC=CC=C2)C

InChI

InChI=1S/C16H25N3O/c1-3-4-5-6-10-13-16(2)17-15(20)19(18-16)14-11-8-7-9-12-14/h7-9,11-12,18H,3-6,10,13H2,1-2H3,(H,17,20)