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

Systemtic Name: methyl 6-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]hexanoate CAS Name: 6-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]hexanoate Traditional Name: 6-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]hexanoic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCCCC(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCCCC(=O)OC

InChI

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