5-methyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-methyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-methyl-2-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-methyl-2-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-methyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-methyl-2-[4-[4-(2-pyridyl)piperazino]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H30N4O2/c1-17-7-8-18-19(16-17)22(28)26(21(18)27)11-5-4-10-24-12-14-25(15-13-24)20-6-2-3-9-23-20/h2-3,6-7,9,18-19H,4-5,8,10-16H2,1H3