3-(2-methylphenyl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-(phenylmethyl)pyrrolidine-2,5-dione

Systemtic Name: 3-(2-methylphenyl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: 1-benzyl-3-(o-tolyl)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione CAS Name: 3-(2-methylphenyl)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: 1-benzyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione Traditional Name: 1-benzyl-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-3-(o-tolyl)pyrrolidine-2,5-quinone Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CC(=O)N(C2=O)CC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=CC=C1C2(CC(=O)N(C2=O)CC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H29N5O3/c1-21-8-5-6-11-23(21)28(19-25(35)33(26(28)36)20-22-9-3-2-4-10-22)18-24(34)31-14-16-32(17-15-31)27-29-12-7-13-30-27/h2-13H,14-20H2,1H3