(4-chloranylnaphthalen-1-yl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (4-chloranylnaphthalen-1-yl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (4-chloro-1-naphthyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (4-chloro-1-naphthyl) ester Formula: C26H17ClN2O3 MolecularWeight: 440.87778

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=CC=C(C5=CC=CC=C54)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=C(C5=CC=CC=C54)Cl

InChI

InChI=1S/C26H17ClN2O3/c27-22-14-15-23(19-11-5-4-10-18(19)22)32-26(31)24-20-12-6-7-13-21(20)25(30)29(28-24)16-17-8-2-1-3-9-17/h1-15H,16H2