5,6-dimethoxy-2-[8-(4-pyridin-2-ylpiperazin-1-yl)octyl]-2,3-dihydro-1H-indene-4,7-dione

Systemtic Name: 5,6-dimethoxy-2-[8-(4-pyridin-2-ylpiperazin-1-yl)octyl]-2,3-dihydro-1H-indene-4,7-dione Openeye Name: 5,6-dimethoxy-2-[8-[4-(2-pyridyl)piperazin-1-yl]octyl]-2,3-dihydro-1H-indene-4,7-dione CAS Name: 5,6-dimethoxy-2-[8-[4-(2-pyridinyl)-1-piperazinyl]octyl]-2,3-dihydro-1H-indene-4,7-dione IUPAC Name: 5,6-dimethoxy-2-[8-(4-pyridin-2-ylpiperazin-1-yl)octyl]-2,3-dihydro-1H-indene-4,7-dione Traditional Name: 5,6-dimethoxy-2-[8-[4-(2-pyridyl)piperazino]octyl]-2,3-dihydro-1H-indene-4,7-quinone Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C1=O)CC(C2)CCCCCCCCN3CCN(CC3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C(=O)C2=C(C1=O)CC(C2)CCCCCCCCN3CCN(CC3)C4=CC=CC=N4)OC

InChI

InChI=1S/C28H39N3O4/c1-34-27-25(32)22-19-21(20-23(22)26(33)28(27)35-2)11-7-5-3-4-6-10-14-30-15-17-31(18-16-30)24-12-8-9-13-29-24/h8-9,12-13,21H,3-7,10-11,14-20H2,1-2H3