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

Systemtic Name: 2-[3-[3-(1-benzothiophen-3-yl)propyl-methyl-amino]propyl]-5,6-dimethoxy-3H-isoindol-1-one Openeye Name: 2-[3-[3-(benzothiophen-3-yl)propyl-methyl-amino]propyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-[3-[3-(1-benzothiophen-3-yl)propyl-methylamino]propyl]-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-[3-[3-(1-benzothiophen-3-yl)propyl-methylamino]propyl]-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-[3-[3-(benzothiophen-3-yl)propyl-methyl-amino]propyl]-5,6-dimethoxy-isoindolin-1-one Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CSC2=CC=CC=C21)CCCN3CC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

CN(CCCC1=CSC2=CC=CC=C21)CCCN3CC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C25H30N2O3S/c1-26(11-6-8-18-17-31-24-10-5-4-9-20(18)24)12-7-13-27-16-19-14-22(29-2)23(30-3)15-21(19)25(27)28/h4-5,9-10,14-15,17H,6-8,11-13,16H2,1-3H3