5,6-dimethoxy-2-[3-[methyl(4-thiophen-3-ylbutyl)amino]propyl]-3H-isoindol-1-one

Systemtic Name: 5,6-dimethoxy-2-[3-[methyl(4-thiophen-3-ylbutyl)amino]propyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethoxy-2-[3-[methyl-[4-(3-thienyl)butyl]amino]propyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-2-[3-[methyl-[4-(3-thiophenyl)butyl]amino]propyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethoxy-2-[3-[methyl(4-thiophen-3-ylbutyl)amino]propyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethoxy-2-[3-[methyl-[4-(3-thienyl)butyl]amino]propyl]isoindolin-1-one Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CSC=C1)CCCN2CC3=CC(=C(C=C3C2=O)OC)OC

Isomeric SMILES

CN(CCCCC1=CSC=C1)CCCN2CC3=CC(=C(C=C3C2=O)OC)OC

InChI

InChI=1S/C22H30N2O3S/c1-23(9-5-4-7-17-8-12-28-16-17)10-6-11-24-15-18-13-20(26-2)21(27-3)14-19(18)22(24)25/h8,12-14,16H,4-7,9-11,15H2,1-3H3