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

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (4-isopropyl-3-methyl-phenyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C26H24N2O3/c1-17(2)21-14-13-20(15-18(21)3)31-26(30)24-22-11-7-8-12-23(22)25(29)28(27-24)16-19-9-5-4-6-10-19/h4-15,17H,16H2,1-3H3