(1-cyanoindolizin-2-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C25H16N4O3 MolecularWeight: 420.41954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C25H16N4O3/c26-14-21-17(15-28-13-7-6-12-22(21)28)16-32-25(31)23-19-10-4-5-11-20(19)24(30)29(27-23)18-8-2-1-3-9-18/h1-13,15H,16H2