2-[3-[2-(5-bromanyl-1-benzothiophen-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[3-[2-(5-bromanyl-1-benzothiophen-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[3-[2-(5-bromobenzothiophen-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one CAS Name: 2-[3-[2-(5-bromo-1-benzothiophen-3-yl)ethyl-methylamino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[3-[2-(5-bromo-1-benzothiophen-3-yl)ethyl-methylamino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[3-[2-(5-bromobenzothiophen-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisocarbostyril Formula: C25H29BrN2OS MolecularWeight: 485.47956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCC3=CSC4=C3C=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCC3=CSC4=C3C=C(C=C4)Br)C

InChI

InChI=1S/C25H29BrN2OS/c1-17-5-7-22-21(18(17)2)10-14-28(25(22)29)12-4-11-27(3)13-9-19-16-30-24-8-6-20(26)15-23(19)24/h5-8,15-16H,4,9-14H2,1-3H3