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

Systemtic Name: methyl 6-[2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanoylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[[2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetyl]amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[1-oxo-2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]ethyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[[2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetyl]amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[[2-[1-keto-4-(4-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=CC=NC=C5)OCO2

Isomeric SMILES

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

InChI

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