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

Systemtic Name: 2-[3-[3-(1-benzothiophen-3-yl)propyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[3-[3-(benzothiophen-3-yl)propyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one CAS Name: 2-[3-[3-(1-benzothiophen-3-yl)propyl-methylamino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[3-[3-(1-benzothiophen-3-yl)propyl-methylamino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[3-[3-(benzothiophen-3-yl)propyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisocarbostyril Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCCC3=CSC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCCC3=CSC4=CC=CC=C43)C

InChI

InChI=1S/C26H32N2OS/c1-19-11-12-24-22(20(19)2)13-17-28(26(24)29)16-7-15-27(3)14-6-8-21-18-30-25-10-5-4-9-23(21)25/h4-5,9-12,18H,6-8,13-17H2,1-3H3