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

Systemtic Name: methyl 5-bromanyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22BrN3O3/c1-13(26-10-9-14-5-3-4-6-15(14)12-26)21(27)25-19-17-11-16(23)7-8-18(17)24-20(19)22(28)29-2/h3-8,11,13,24H,9-10,12H2,1-2H3,(H,25,27)