3,3,6-tris(bromanyl)-5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridin-2-one

Systemtic Name: 3,3,6-tris(bromanyl)-5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridin-2-one Openeye Name: 1-(3-benzyloxypropyl)-3,3,6-tribromo-5-methoxy-pyrrolo[3,2-b]pyridin-2-one CAS Name: 3,3,6-tribromo-5-methoxy-1-(3-phenylmethoxypropyl)-2-pyrrolo[3,2-b]pyridinone IUPAC Name: 3,3,6-tribromo-5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridin-2-one Traditional Name: 1-(3-benzoxypropyl)-3,3,6-tribromo-5-methoxy-pyrrolo[3,2-b]pyridin-2-one Formula: C18H17Br3N2O3 MolecularWeight: 549.05118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=N1)C(C(=O)N2CCCOCC3=CC=CC=C3)(Br)Br)Br

Isomeric SMILES

COC1=C(C=C2C(=N1)C(C(=O)N2CCCOCC3=CC=CC=C3)(Br)Br)Br

InChI

InChI=1S/C18H17Br3N2O3/c1-25-16-13(19)10-14-15(22-16)18(20,21)17(24)23(14)8-5-9-26-11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3