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

Systemtic Name: 5,6-dimethyl-2-[3-[methyl(2-thiophen-2-ylethyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 5,6-dimethyl-2-[3-[methyl-[2-(2-thienyl)ethyl]amino]propyl]-3,4-dihydroisoquinolin-1-one CAS Name: 5,6-dimethyl-2-[3-[methyl(2-thiophen-2-ylethyl)amino]propyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 5,6-dimethyl-2-[3-[methyl(2-thiophen-2-ylethyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 5,6-dimethyl-2-[3-[methyl-[2-(2-thienyl)ethyl]amino]propyl]-3,4-dihydroisocarbostyril Formula: C21H28N2OS MolecularWeight: 356.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCC3=CC=CS3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCC3=CC=CS3)C

InChI

InChI=1S/C21H28N2OS/c1-16-7-8-20-19(17(16)2)10-14-23(21(20)24)12-5-11-22(3)13-9-18-6-4-15-25-18/h4,6-8,15H,5,9-14H2,1-3H3