4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(4-ethoxyphenyl)phthalazin-1-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(4-ethoxyphenyl)phthalazin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)phthalazin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-(4-ethoxyphenyl)-1-phthalazinone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)phthalazin-1-one Traditional Name: 4-(4-piperonylpiperazine-1-carbonyl)-2-p-phenetyl-phthalazin-1-one Formula: C29H28N4O5 MolecularWeight: 512.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H28N4O5/c1-2-36-22-10-8-21(9-11-22)33-28(34)24-6-4-3-5-23(24)27(30-33)29(35)32-15-13-31(14-16-32)18-20-7-12-25-26(17-20)38-19-37-25/h3-12,17H,2,13-16,18-19H2,1H3