2-butyl-4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-butyl-4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-butyl-4-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-butyl-4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-butyl-4-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H28N4O5/c1-2-3-12-30-24(31)19-9-5-4-8-18(19)23(27-30)26(33)29-15-13-28(14-16-29)25(32)22-17-34-20-10-6-7-11-21(20)35-22/h4-11,22H,2-3,12-17H2,1H3