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

Systemtic Name: 2-[(5-bromanyl-2,4-dimethoxy-phenyl)-oxidanyl-methyl]-6-phenyl-1-phenylazanyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 1-anilino-2-[(5-bromo-2,4-dimethoxy-phenyl)-hydroxy-methyl]-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 1-anilino-2-[(5-bromo-2,4-dimethoxyphenyl)-hydroxymethyl]-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 1-anilino-2-[(5-bromo-2,4-dimethoxyphenyl)-hydroxymethyl]-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 1-anilino-2-[(5-bromo-2,4-dimethoxy-phenyl)-hydroxy-methyl]-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C28H26BrN3O5 MolecularWeight: 564.42714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2C=CC3C(N2NC4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5)O)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2C=CC3C(N2NC4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5)O)Br)OC

InChI

InChI=1S/C28H26BrN3O5/c1-36-23-16-24(37-2)21(29)15-20(23)26(33)22-14-13-19-25(32(22)30-17-9-5-3-6-10-17)28(35)31(27(19)34)18-11-7-4-8-12-18/h3-16,19,22,25-26,30,33H,1-2H3