methyl 6-[2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanoylamino]-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-[2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanoylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[[2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]acetyl]amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[1-oxo-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]ethyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[[2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetyl]amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[[2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]acetyl]amino]-piperonylic acid methyl ester Formula: C25H20N4O6 MolecularWeight: 472.4495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5)OCO2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5)OCO2

InChI

InChI=1S/C25H20N4O6/c1-33-25(32)18-10-21-22(35-14-34-21)11-19(18)27-23(30)13-29-24(31)17-7-3-2-6-16(17)20(28-29)9-15-5-4-8-26-12-15/h2-8,10-12H,9,13-14H2,1H3,(H,27,30)