2-[2-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-[4-[4-(p-tolyl)phthalazin-1-yl]piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-[4-(p-tolyl)phthalazin-1-yl]piperazino]ethyl]isoindoline-1,3-quinone Formula: C29H25N5O3 MolecularWeight: 491.5405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H25N5O3/c1-19-10-12-20(13-11-19)26-21-6-2-3-7-22(21)27(31-30-26)33-16-14-32(15-17-33)25(35)18-34-28(36)23-8-4-5-9-24(23)29(34)37/h2-13H,14-18H2,1H3