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

Systemtic Name: 2-[3-[4-(1-benzothiophen-3-yl)butyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[3-[4-(benzothiophen-3-yl)butyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one CAS Name: 2-[3-[4-(1-benzothiophen-3-yl)butyl-methylamino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[3-[4-(1-benzothiophen-3-yl)butyl-methylamino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[3-[4-(benzothiophen-3-yl)butyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisocarbostyril Formula: C27H34N2OS MolecularWeight: 434.63666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCCCC3=CSC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCCCC3=CSC4=CC=CC=C43)C

InChI

InChI=1S/C27H34N2OS/c1-20-12-13-25-23(21(20)2)14-18-29(27(25)30)17-8-16-28(3)15-7-6-9-22-19-31-26-11-5-4-10-24(22)26/h4-5,10-13,19H,6-9,14-18H2,1-3H3