4-[(3,7-dimethyl-7-oxidanyl-octyl)amino]-2H-phthalazin-1-one

Systemtic Name: 4-[(3,7-dimethyl-7-oxidanyl-octyl)amino]-2H-phthalazin-1-one Openeye Name: 4-[(7-hydroxy-3,7-dimethyl-octyl)amino]-2H-phthalazin-1-one CAS Name: 4-[(7-hydroxy-3,7-dimethyloctyl)amino]-2H-phthalazin-1-one IUPAC Name: 4-[(7-hydroxy-3,7-dimethyloctyl)amino]-2H-phthalazin-1-one Traditional Name: 4-[(7-hydroxy-3,7-dimethyl-octyl)amino]-2H-phthalazin-1-one Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)CCNC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(CCCC(C)(C)O)CCNC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C18H27N3O2/c1-13(7-6-11-18(2,3)23)10-12-19-16-14-8-4-5-9-15(14)17(22)21-20-16/h4-5,8-9,13,23H,6-7,10-12H2,1-3H3,(H,19,20)(H,21,22)