methyl 6-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(4-oxo-3H-phthalazine-1-carbonyl)amino]hexanoate CAS Name: 6-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-oxo-3H-phthalazine-1-carbonyl)amino]hexanoate Traditional Name: 6-[(4-keto-3H-phthalazine-1-carbonyl)amino]hexanoic acid methyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H19N3O4/c1-23-13(20)9-3-2-6-10-17-16(22)14-11-7-4-5-8-12(11)15(21)19-18-14/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,17,22)(H,19,21)