5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2H-phthalazin-1-one

Systemtic Name: 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2H-phthalazin-1-one Openeye Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-2H-phthalazin-1-one CAS Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-2H-phthalazin-1-one IUPAC Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-2H-phthalazin-1-one Traditional Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-2H-phthalazin-1-one Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC2=C1C=NNC2=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC2=C1C=NNC2=O)O

InChI

InChI=1S/C15H21N3O3/c1-15(2,3)16-7-10(19)9-21-13-6-4-5-11-12(13)8-17-18-14(11)20/h4-6,8,10,16,19H,7,9H2,1-3H3,(H,18,20)