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

Systemtic Name: 3a,7a-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 3a,7a-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 3a,7a-dimethyl-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 3a,7a-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 3a,7a-dimethyl-2-[4-[4-(2-pyrimidyl)piperazino]butyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCCC1(C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC12CCCCC1(C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H33N5O2/c1-21-8-3-4-9-22(21,2)19(29)27(18(21)28)13-6-5-12-25-14-16-26(17-15-25)20-23-10-7-11-24-20/h7,10-11H,3-6,8-9,12-17H2,1-2H3