methyl 7-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]heptanoate Openeye Name: methyl 7-[(4-oxo-3H-phthalazine-1-carbonyl)amino]heptanoate CAS Name: 7-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(4-oxo-3H-phthalazine-1-carbonyl)amino]heptanoate Traditional Name: 7-[(4-keto-3H-phthalazine-1-carbonyl)amino]enanthic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-24-14(21)10-4-2-3-7-11-18-17(23)15-12-8-5-6-9-13(12)16(22)20-19-15/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,18,23)(H,20,22)