3-[6-[5-(6-methylpyridin-2-yl)-2H-1,2,3-triazol-4-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile

Systemtic Name: 3-[6-[5-(6-methylpyridin-2-yl)-2H-1,2,3-triazol-4-yl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanenitrile Openeye Name: 3-[6-[5-(6-methyl-2-pyridyl)-2H-triazol-4-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile CAS Name: 3-[6-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile IUPAC Name: 3-[6-[5-(6-methylpyridin-2-yl)-2H-triazol-4-yl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile Traditional Name: 3-[3-keto-6-[5-(6-methyl-2-pyridyl)-2H-triazol-4-yl]-1,4-benzoxazin-4-yl]propionitrile Formula: C19H16N6O2 MolecularWeight: 360.36934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=NNN=C2C3=CC4=C(C=C3)OCC(=O)N4CCC#N

Isomeric SMILES

CC1=CC=CC(=N1)C2=NNN=C2C3=CC4=C(C=C3)OCC(=O)N4CCC#N

InChI

InChI=1S/C19H16N6O2/c1-12-4-2-5-14(21-12)19-18(22-24-23-19)13-6-7-16-15(10-13)25(9-3-8-20)17(26)11-27-16/h2,4-7,10H,3,9,11H2,1H3,(H,22,23,24)