2-(5-isocyano-3,6-dimethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,2-a][1,2]diazepine-1,3-dione

Systemtic Name: 2-(5-isocyano-3,6-dimethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,2-a][1,2]diazepine-1,3-dione Openeye Name: 2-(5-isocyano-3,6-dimethyl-2-pyridyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,2-a]diazepine-1,3-dione CAS Name: 2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,2-a]diazepine-1,3-dione IUPAC Name: 2-(5-isocyano-3,6-dimethylpyridin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,2-a]diazepine-1,3-dione Traditional Name: 2-(5-isocyano-3,6-dimethyl-2-pyridyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,2-a]diazepine-1,3-quinone Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1N2C(=O)N3CCCCCN3C2=O)C)[N+]#[C-]

Isomeric SMILES

CC1=CC(=C(N=C1N2C(=O)N3CCCCCN3C2=O)C)[N+]#[C-]

InChI

InChI=1S/C15H17N5O2/c1-10-9-12(16-3)11(2)17-13(10)20-14(21)18-7-5-4-6-8-19(18)15(20)22/h9H,4-8H2,1-2H3