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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCC3=CSC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCC3=CSC=C3)C

InChI

InChI=1S/C21H28N2OS/c1-16-5-6-20-19(17(16)2)8-13-23(21(20)24)11-4-10-22(3)12-7-18-9-14-25-15-18/h5-6,9,14-15H,4,7-8,10-13H2,1-3H3