4-(2,5-dimethylphenyl)-2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[2-keto-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one Formula: C28H27N3O3 MolecularWeight: 453.53228

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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=C4C=CC(=C5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCC5=C4C=CC(=C5)OC

InChI

InChI=1S/C28H27N3O3/c1-18-10-11-19(2)24(15-18)27-22-8-4-5-9-23(22)28(33)31(29-27)17-26(32)30-14-6-7-20-16-21(34-3)12-13-25(20)30/h4-5,8-13,15-16H,6-7,14,17H2,1-3H3