2-(5-isocyano-3,6-dimethyl-pyridin-2-yl)-5,6,7,8-tetrahydrophthalazin-1-one

Systemtic Name: 2-(5-isocyano-3,6-dimethyl-pyridin-2-yl)-5,6,7,8-tetrahydrophthalazin-1-one Openeye Name: 2-(5-isocyano-3,6-dimethyl-2-pyridyl)-5,6,7,8-tetrahydrophthalazin-1-one CAS Name: 2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-5,6,7,8-tetrahydrophthalazin-1-one IUPAC Name: 2-(5-isocyano-3,6-dimethylpyridin-2-yl)-5,6,7,8-tetrahydrophthalazin-1-one Traditional Name: 2-(5-isocyano-3,6-dimethyl-2-pyridyl)-5,6,7,8-tetrahydrophthalazin-1-one Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1N2C(=O)C3=C(CCCC3)C=N2)C)[N+]#[C-]

Isomeric SMILES

CC1=CC(=C(N=C1N2C(=O)C3=C(CCCC3)C=N2)C)[N+]#[C-]

InChI

InChI=1S/C16H16N4O/c1-10-8-14(17-3)11(2)19-15(10)20-16(21)13-7-5-4-6-12(13)9-18-20/h8-9H,4-7H2,1-2H3