3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H15N3O3 MolecularWeight: 381.3835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C23H15N3O3/c24-13-17-5-1-2-6-18(17)16-11-9-15(10-12-16)14-26-22(27)20-8-4-3-7-19(20)21(25-26)23(28)29/h1-12H,14H2,(H,28,29)