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

Systemtic Name: pentyl 4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-2-3-6-13-29-22(28)15-9-11-16(12-10-15)23-20(26)14-19-17-7-4-5-8-18(17)21(27)25-24-19/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,26)(H,25,27)