methyl 5-bromanyl-3-(2-piperidin-1-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-(2-piperidin-1-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-(1-piperidyl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-2-(1-piperidinyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[(2-piperidin-1-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[(2-piperidinoacetyl)amino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H20BrN3O3 MolecularWeight: 394.263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCCCC3

InChI

InChI=1S/C17H20BrN3O3/c1-24-17(23)16-15(12-9-11(18)5-6-13(12)19-16)20-14(22)10-21-7-3-2-4-8-21/h5-6,9,19H,2-4,7-8,10H2,1H3,(H,20,22)