propyl 4-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzoate Openeye Name: propyl 4-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]benzoate Traditional Name: 4-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]benzoic acid propyl ester Formula: C26H23N3O4 MolecularWeight: 441.47852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4/c1-2-16-33-26(32)19-12-14-20(15-13-19)27-24(30)23-21-10-6-7-11-22(21)25(31)29(28-23)17-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,27,30)