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

Systemtic Name: butyl 4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-2-3-12-28-21(27)14-8-10-15(11-9-14)22-19(25)13-18-16-6-4-5-7-17(16)20(26)24-23-18/h4-11H,2-3,12-13H2,1H3,(H,22,25)(H,24,26)