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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]-methyl-amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]-methyl-amino]acetamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)[C@@H](C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H26BrN3O2/c1-15-12-19(23)8-9-20(15)24-21(27)14-25(3)16(2)22(28)26-11-10-17-6-4-5-7-18(17)13-26/h4-9,12,16H,10-11,13-14H2,1-3H3,(H,24,27)/t16-/m0/s1