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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(2,5-dimethylphenyl)-1-phthalazinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O2/c1-18-11-12-19(2)24(15-18)26-22-9-5-6-10-23(22)27(32)30(28-26)17-25(31)29-14-13-20-7-3-4-8-21(20)16-29/h3-12,15H,13-14,16-17H2,1-2H3