N-(4-bromanyl-2-methyl-phenyl)-2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(3-methyl-1-oxo-2-isoquinolyl)acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]amino]acetamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H20BrN3O3/c1-13-9-16(22)7-8-18(13)24-19(26)11-23-20(27)12-25-14(2)10-15-5-3-4-6-17(15)21(25)28/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,26)