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

Systemtic Name: (4-propan-2-ylphenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (4-isopropylphenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (4-isopropylbenzyl) ester Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H18N2O3/c1-12(2)14-9-7-13(8-10-14)11-24-19(23)17-15-5-3-4-6-16(15)18(22)21-20-17/h3-10,12H,11H2,1-2H3,(H,21,22)