butyl 4-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-ketophthalazin-2-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)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

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

InChI

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