2-[3-[2-(5-bromanylthiophen-2-yl)ethyl-methyl-amino]propyl]-5,6-dimethoxy-3H-isoindol-1-one

Systemtic Name: 2-[3-[2-(5-bromanylthiophen-2-yl)ethyl-methyl-amino]propyl]-5,6-dimethoxy-3H-isoindol-1-one Openeye Name: 2-[3-[2-(5-bromo-2-thienyl)ethyl-methyl-amino]propyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-[3-[2-(5-bromo-2-thiophenyl)ethyl-methylamino]propyl]-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-[3-[2-(5-bromothiophen-2-yl)ethyl-methylamino]propyl]-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-[3-[2-(5-bromo-2-thienyl)ethyl-methyl-amino]propyl]-5,6-dimethoxy-isoindolin-1-one Formula: C20H25BrN2O3S MolecularWeight: 453.3931

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CC2=CC(=C(C=C2C1=O)OC)OC)CCC3=CC=C(S3)Br

Isomeric SMILES

CN(CCCN1CC2=CC(=C(C=C2C1=O)OC)OC)CCC3=CC=C(S3)Br

InChI

InChI=1S/C20H25BrN2O3S/c1-22(10-7-15-5-6-19(21)27-15)8-4-9-23-13-14-11-17(25-2)18(26-3)12-16(14)20(23)24/h5-6,11-12H,4,7-10,13H2,1-3H3