4-(2,5-dimethylphenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]phthalazin-1-one Formula: C29H30N4O3 MolecularWeight: 482.5735

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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)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H30N4O3/c1-20-8-9-21(2)26(18-20)28-24-6-4-5-7-25(24)29(35)33(30-28)19-27(34)32-16-14-31(15-17-32)22-10-12-23(36-3)13-11-22/h4-13,18H,14-17,19H2,1-3H3