5-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 5-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 5-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 5-methyl-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 5-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 5-methyl-2-[4-[4-(2-pyrimidyl)piperazino]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H31N5O2/c1-16-5-6-17-18(15-16)20(28)26(19(17)27)10-3-2-9-24-11-13-25(14-12-24)21-22-7-4-8-23-21/h4,7-8,16-18H,2-3,5-6,9-15H2,1H3