5,6-dimethoxy-3-[[1-[2-(4-nitrophenyl)ethyl]piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 5,6-dimethoxy-3-[[1-[2-(4-nitrophenyl)ethyl]piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one Openeye Name: 5,6-dimethoxy-3-[[1-[2-(4-nitrophenyl)ethyl]-3-piperidyl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-3-[[1-[2-(4-nitrophenyl)ethyl]-3-piperidinyl]methyl]-2,3-dihydroisoindol-1-one IUPAC Name: 5,6-dimethoxy-3-[[1-[2-(4-nitrophenyl)ethyl]piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one Traditional Name: 5,6-dimethoxy-3-[[1-[2-(4-nitrophenyl)ethyl]-3-piperidyl]methyl]isoindolin-1-one Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(NC2=O)CC3CCCN(C3)CCC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(NC2=O)CC3CCCN(C3)CCC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H29N3O5/c1-31-22-13-19-20(14-23(22)32-2)24(28)25-21(19)12-17-4-3-10-26(15-17)11-9-16-5-7-18(8-6-16)27(29)30/h5-8,13-14,17,21H,3-4,9-12,15H2,1-2H3,(H,25,28)