2-[(5-bromanylthiophen-2-yl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-butan-1-one

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-butan-1-one Openeye Name: 2-[(5-bromo-2-thienyl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-butan-1-one CAS Name: 2-[(5-bromo-2-thiophenyl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-1-butanone IUPAC Name: 2-[(5-bromothiophen-2-yl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-1-one Traditional Name: 2-[(5-bromo-2-thienyl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-butan-1-one Formula: C22H29BrN2O3S MolecularWeight: 481.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=C(S3)Br

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=C(S3)Br

InChI

InChI=1S/C22H29BrN2O3S/c1-22(2,3)20(24-12-16-6-7-19(23)29-16)21(26)25-9-8-14-10-17(27-4)18(28-5)11-15(14)13-25/h6-7,10-11,20,24H,8-9,12-13H2,1-5H3