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

Systemtic Name: 5,6-dimethoxy-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 5,6-dimethoxy-2-[3-[methyl-[4-(2-thienyl)butyl]amino]propyl]-3,4-dihydroisoquinolin-1-one CAS Name: 5,6-dimethoxy-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 5,6-dimethoxy-2-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 5,6-dimethoxy-2-[3-[methyl-[4-(2-thienyl)butyl]amino]propyl]-3,4-dihydroisocarbostyril Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CC=CS1)CCCN2CCC3=C(C2=O)C=CC(=C3OC)OC

Isomeric SMILES

CN(CCCCC1=CC=CS1)CCCN2CCC3=C(C2=O)C=CC(=C3OC)OC

InChI

InChI=1S/C23H32N2O3S/c1-24(13-5-4-8-18-9-6-17-29-18)14-7-15-25-16-12-19-20(23(25)26)10-11-21(27-2)22(19)28-3/h6,9-11,17H,4-5,7-8,12-16H2,1-3H3