N-(4-bromanyl-2-methyl-phenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methyl-amino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methyl-amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-methyl-amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylamino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylamino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-methyl-amino]acetamide Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H24BrN3O2/c1-15-11-18(22)7-8-19(15)23-20(26)13-24(2)14-21(27)25-10-9-16-5-3-4-6-17(16)12-25/h3-8,11H,9-10,12-14H2,1-2H3,(H,23,26)