3-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-3-keto-propyl]-2H-phthalazine-1,4-quinone Formula: C25H25N3O6 MolecularWeight: 463.4825

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C25H25N3O6/c29-22(9-12-28-25(32)19-4-2-1-3-18(19)24(31)26-28)27-10-7-16(8-11-27)23(30)17-5-6-20-21(15-17)34-14-13-33-20/h1-6,15-16H,7-14H2,(H,26,31)