6-(azepan-1-ylcarbonyl)-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione

Systemtic Name: 6-(azepan-1-ylcarbonyl)-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione Openeye Name: 6-(azepane-1-carbonyl)-4-methyl-2-(p-tolyl)-1,2,4-triazine-3,5-dione CAS Name: 6-[1-azepanyl(oxo)methyl]-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione IUPAC Name: 6-(azepane-1-carbonyl)-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5-dione Traditional Name: 6-(azepane-1-carbonyl)-4-methyl-2-(p-tolyl)-1,2,4-triazine-3,5-quinone Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)N(C(=O)C(=N2)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)N(C(=O)C(=N2)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H22N4O3/c1-13-7-9-14(10-8-13)22-18(25)20(2)16(23)15(19-22)17(24)21-11-5-3-4-6-12-21/h7-10H,3-6,11-12H2,1-2H3