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

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]methyl]phthalazin-1-one Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C22H24N4O3/c27-22-19-4-2-1-3-18(19)14-23-26(22)16-25-9-7-24(8-10-25)15-17-5-6-20-21(13-17)29-12-11-28-20/h1-6,13-14H,7-12,15-16H2