2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-4-(2,5-dimethylphenyl)phthalazin-1-one

Systemtic Name: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-4-(2,5-dimethylphenyl)phthalazin-1-one Openeye Name: 2-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-4-(2,5-dimethylphenyl)-1-phthalazinone IUPAC Name: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-4-(2,5-dimethylphenyl)phthalazin-1-one Traditional Name: 2-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)C(C)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)[C@H](C)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H27N3O2/c1-18-12-13-19(2)25(16-18)26-23-10-6-7-11-24(23)28(33)31(29-26)20(3)27(32)30-15-14-21-8-4-5-9-22(21)17-30/h4-13,16,20H,14-15,17H2,1-3H3/t20-/m1/s1