2-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H25N5O3/c29-20(26-11-13-27(14-12-26)23-24-9-4-10-25-23)16-7-8-18-19(15-16)22(31)28(21(18)30)17-5-2-1-3-6-17/h4,7-10,15,17H,1-3,5-6,11-14H2