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

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]phthalazin-1-one Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O2/c1-20-13-14-21(2)26(19-20)27-24-11-7-8-12-25(24)29(35)33(30-27)22(3)28(34)32-17-15-31(16-18-32)23-9-5-4-6-10-23/h4-14,19,22H,15-18H2,1-3H3