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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-(2-hydroxy-3-piperonyloxy-propyl)-4-(2-thienyl)phthalazin-1-one Formula: C23H20N2O5S MolecularWeight: 436.4803

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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=CS5)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCC(CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)O

InChI

InChI=1S/C23H20N2O5S/c26-16(13-28-12-15-7-8-19-20(10-15)30-14-29-19)11-25-23(27)18-5-2-1-4-17(18)22(24-25)21-6-3-9-31-21/h1-10,16,26H,11-14H2