(5-chloranylquinolin-8-yl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (5-chloranylquinolin-8-yl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (5-chloro-8-quinolyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (5-chloro-8-quinolyl) ester Formula: C25H16ClN3O3 MolecularWeight: 441.86584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=C5C(=C(C=C4)Cl)C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=C5C(=C(C=C4)Cl)C=CC=N5

InChI

InChI=1S/C25H16ClN3O3/c26-20-12-13-21(22-19(20)11-6-14-27-22)32-25(31)23-17-9-4-5-10-18(17)24(30)29(28-23)15-16-7-2-1-3-8-16/h1-14H,15H2