3-[4-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-1-oxidanylidene-phthalazin-2-yl]propanenitrile

Systemtic Name: 3-[4-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-1-oxidanylidene-phthalazin-2-yl]propanenitrile Openeye Name: 3-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxo-phthalazin-2-yl]propanenitrile CAS Name: 3-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxo-2-phthalazinyl]propanenitrile IUPAC Name: 3-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxophthalazin-2-yl]propanenitrile Traditional Name: 3-[1-keto-4-(3-keto-4-methyl-1,4-benzoxazin-6-yl)phthalazin-2-yl]propionitrile Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CCC#N

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C20H16N4O3/c1-23-16-11-13(7-8-17(16)27-12-18(23)25)19-14-5-2-3-6-15(14)20(26)24(22-19)10-4-9-21/h2-3,5-8,11H,4,10,12H2,1H3