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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C24H17N5O3 MolecularWeight: 423.42348

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=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C24H17N5O3/c25-22-18-12-6-7-13-19(18)26-20(27-22)14-32-24(31)21-16-10-4-5-11-17(16)23(30)29(28-21)15-8-2-1-3-9-15/h1-13H,14H2,(H2,25,26,27)