(4-pyrazol-1-ylphenyl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C25H18N4O3 MolecularWeight: 422.43542

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=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C25H18N4O3/c30-24-22-10-5-4-9-21(22)23(27-29(24)20-7-2-1-3-8-20)25(31)32-17-18-11-13-19(14-12-18)28-16-6-15-26-28/h1-16H,17H2