2-[4-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]pentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-methyl-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C22H29N5O3/c1-15(2)14-18(27-19(28)16-6-3-4-7-17(16)20(27)29)21(30)25-10-12-26(13-11-25)22-23-8-5-9-24-22/h3-5,8-9,15-18H,6-7,10-14H2,1-2H3