methyl 2-[2-[methyl-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[methyl-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[methyl-(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[methyl-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[methyl-(3-methyl-4-oxophthalazine-1-carbonyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-keto-3-methyl-phthalazine-1-carbonyl)-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H20N4O5/c1-24(12-17(26)22-16-11-7-6-10-15(16)21(29)30-3)20(28)18-13-8-4-5-9-14(13)19(27)25(2)23-18/h4-11H,12H2,1-3H3,(H,22,26)