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

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(2,5-dimethylphenyl)-1-phthalazinone IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Traditional Name: 2-[2-(3,4-dihydro-2H-quinolin-1-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)N4CCCC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCC5=CC=CC=C54

InChI

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