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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-benzyl-phthalazin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-benzylphthalazin-1-one Traditional Name: 2-benzyl-4-(4-piperonylpiperazine-1-carbonyl)phthalazin-1-one Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C28H26N4O4/c33-27-23-9-5-4-8-22(23)26(29-32(27)18-20-6-2-1-3-7-20)28(34)31-14-12-30(13-15-31)17-21-10-11-24-25(16-21)36-19-35-24/h1-11,16H,12-15,17-19H2