2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-4-phenylphthalazin-1-one Traditional Name: 2-(2-hydroxy-3-piperonyloxy-propyl)-4-phenyl-phthalazin-1-one Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC(CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCC(CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)O

InChI

InChI=1S/C25H22N2O5/c28-19(15-30-14-17-10-11-22-23(12-17)32-16-31-22)13-27-25(29)21-9-5-4-8-20(21)24(26-27)18-6-2-1-3-7-18/h1-12,19,28H,13-16H2