2-[3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[2-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)butyl]isoindolin-1-one CAS Name: 2-[3-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]pentan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[2-methyl-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]butyl]isoindolin-1-one Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H27N5O2/c1-3-16(2)19(27-15-17-7-4-5-8-18(17)20(27)28)21(29)25-11-13-26(14-12-25)22-23-9-6-10-24-22/h4-10,16,19H,3,11-15H2,1-2H3