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

Systemtic Name: 5,6-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5,6-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5,6-dimethyl-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5,6-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5,6-dimethyl-2-[4-[4-(2-pyrimidyl)piperazino]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(CC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H31N5O2/c1-16-14-18-19(15-17(16)2)21(29)27(20(18)28)9-4-3-8-25-10-12-26(13-11-25)22-23-6-5-7-24-22/h5-7,18-19H,3-4,8-15H2,1-2H3