ethyl 4-[2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]acetyl]amino]benzoic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H20N4O5/c1-2-30-21(29)13-7-9-14(10-8-13)23-19(27)12-22-18(26)11-17-15-5-3-4-6-16(15)20(28)25-24-17/h3-10H,2,11-12H2,1H3,(H,22,26)(H,23,27)(H,25,28)