2-[(5-bromanyl-2,3-dimethoxy-phenyl)-oxidanyl-methyl]-6-methyl-1-piperidin-1-yl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 2-[(5-bromanyl-2,3-dimethoxy-phenyl)-oxidanyl-methyl]-6-methyl-1-piperidin-1-yl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 2-[(5-bromo-2,3-dimethoxy-phenyl)-hydroxy-methyl]-6-methyl-1-(1-piperidyl)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 2-[(5-bromo-2,3-dimethoxyphenyl)-hydroxymethyl]-6-methyl-1-(1-piperidinyl)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 2-[(5-bromo-2,3-dimethoxyphenyl)-hydroxymethyl]-6-methyl-1-piperidin-1-yl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 2-[(5-bromo-2,3-dimethoxy-phenyl)-hydroxy-methyl]-6-methyl-1-piperidino-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C22H28BrN3O5 MolecularWeight: 494.37882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C=CC(N(C2C1=O)N3CCCCC3)C(C4=CC(=CC(=C4OC)OC)Br)O

Isomeric SMILES

CN1C(=O)C2C=CC(N(C2C1=O)N3CCCCC3)C(C4=CC(=CC(=C4OC)OC)Br)O

InChI

InChI=1S/C22H28BrN3O5/c1-24-21(28)14-7-8-16(26(18(14)22(24)29)25-9-5-4-6-10-25)19(27)15-11-13(23)12-17(30-2)20(15)31-3/h7-8,11-12,14,16,18-19,27H,4-6,9-10H2,1-3H3