4-[3-[3-(dimethylamino)propylamino]-2-oxidanyl-propoxy]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[3-[3-(dimethylamino)propylamino]-2-oxidanyl-propoxy]-2-methyl-phthalazin-1-one Openeye Name: 4-[3-[3-(dimethylamino)propylamino]-2-hydroxy-propoxy]-2-methyl-phthalazin-1-one CAS Name: 4-[3-[3-(dimethylamino)propylamino]-2-hydroxypropoxy]-2-methyl-1-phthalazinone IUPAC Name: 4-[3-[3-(dimethylamino)propylamino]-2-hydroxypropoxy]-2-methylphthalazin-1-one Traditional Name: 4-[3-[3-(dimethylamino)propylamino]-2-hydroxy-propoxy]-2-methyl-phthalazin-1-one Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)OCC(CNCCCN(C)C)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)OCC(CNCCCN(C)C)O

InChI

InChI=1S/C17H26N4O3/c1-20(2)10-6-9-18-11-13(22)12-24-16-14-7-4-5-8-15(14)17(23)21(3)19-16/h4-5,7-8,13,18,22H,6,9-12H2,1-3H3