methyl 2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-5-morpholino-benzoate CAS Name: 2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-5-morpholino-benzoic acid methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C22H22N4O5/c1-25-21(28)16-6-4-3-5-15(16)19(24-25)20(27)23-18-8-7-14(13-17(18)22(29)30-2)26-9-11-31-12-10-26/h3-8,13H,9-12H2,1-2H3,(H,23,27)