methyl 5-bromanyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H20BrN3O3/c1-28-21(27)20-19(16-10-15(22)6-7-17(16)23-20)24-18(26)12-25-9-8-13-4-2-3-5-14(13)11-25/h2-7,10,23H,8-9,11-12H2,1H3,(H,24,26)