propyl 4-[2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoylamino]benzoate Openeye Name: propyl 4-[[2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-carbamoyl-1-oxo-2-phthalazinyl)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-carbamoyl-1-oxophthalazin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetyl]amino]benzoic acid propyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

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