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

Systemtic Name: methyl 6-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]hexanoate CAS Name: 6-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]hexanoate Traditional Name: 6-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]hexanoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-29-19(26)14-6-3-9-15-23-21(27)20-17-12-7-8-13-18(17)22(28)25(24-20)16-10-4-2-5-11-16/h2,4-5,7-8,10-13H,3,6,9,14-15H2,1H3,(H,23,27)