(4-propan-2-ylphenyl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (4-propan-2-ylphenyl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (4-isopropylphenyl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (4-isopropylbenzyl) ester Formula: C25H22N2O3 MolecularWeight: 398.45378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c1-17(2)19-14-12-18(13-15-19)16-30-25(29)23-21-10-6-7-11-22(21)24(28)27(26-23)20-8-4-3-5-9-20/h3-15,17H,16H2,1-2H3