N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

InChI

InChI=1S/C25H22N4O4/c30-24(27-14-18-16-32-22-9-3-4-10-23(22)33-18)15-29-25(31)20-8-2-1-7-19(20)21(28-29)12-17-6-5-11-26-13-17/h1-11,13,18H,12,14-16H2,(H,27,30)