4,5-dimethoxy-7-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 4,5-dimethoxy-7-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 4,5-dimethoxy-7-[[1-(4-pyridylmethyl)-3-piperidyl]methyl]isoindoline-1,3-dione CAS Name: 4,5-dimethoxy-7-[[1-(pyridin-4-ylmethyl)-3-piperidinyl]methyl]isoindole-1,3-dione IUPAC Name: 4,5-dimethoxy-7-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 4,5-dimethoxy-7-[[1-(4-pyridylmethyl)-3-piperidyl]methyl]isoindoline-1,3-quinone Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)CC3CCCN(C3)CC4=CC=NC=C4)C(=O)NC2=O)OC

Isomeric SMILES

COC1=C(C2=C(C(=C1)CC3CCCN(C3)CC4=CC=NC=C4)C(=O)NC2=O)OC

InChI

InChI=1S/C22H25N3O4/c1-28-17-11-16(18-19(20(17)29-2)22(27)24-21(18)26)10-15-4-3-9-25(13-15)12-14-5-7-23-8-6-14/h5-8,11,15H,3-4,9-10,12-13H2,1-2H3,(H,24,26,27)