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

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[2-keto-2-(4-phenylpiperazino)ethyl]phthalazin-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O2/c1-20-12-13-21(2)25(18-20)27-23-10-6-7-11-24(23)28(34)32(29-27)19-26(33)31-16-14-30(15-17-31)22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3