4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C29H28N4O4/c34-28-24-9-5-4-8-23(24)27(30-33(28)20-21-6-2-1-3-7-21)29(35)32-14-12-31(13-15-32)19-22-10-11-25-26(18-22)37-17-16-36-25/h1-11,18H,12-17,19-20H2