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

Systemtic Name: 5,6-dimethoxy-2-[3-[methyl(3-thiophen-2-ylpropyl)amino]propyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethoxy-2-[3-[methyl-[3-(2-thienyl)propyl]amino]propyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-2-[3-[methyl(3-thiophen-2-ylpropyl)amino]propyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethoxy-2-[3-[methyl(3-thiophen-2-ylpropyl)amino]propyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethoxy-2-[3-[methyl-[3-(2-thienyl)propyl]amino]propyl]isoindolin-1-one Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CS1)CCCN2CC3=CC(=C(C=C3C2=O)OC)OC

Isomeric SMILES

CN(CCCC1=CC=CS1)CCCN2CC3=CC(=C(C=C3C2=O)OC)OC

InChI

InChI=1S/C21H28N2O3S/c1-22(9-4-7-17-8-5-12-27-17)10-6-11-23-15-16-13-19(25-2)20(26-3)14-18(16)21(23)24/h5,8,12-14H,4,6-7,9-11,15H2,1-3H3