methyl 5-bromanyl-3-[2-(2-methylpiperidin-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-(2-methylpiperidin-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-(2-methyl-1-piperidyl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(2-methyl-1-piperidinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-(2-methylpiperidino)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H22BrN3O3 MolecularWeight: 408.28958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1CCCCN1CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C18H22BrN3O3/c1-11-5-3-4-8-22(11)10-15(23)21-16-13-9-12(19)6-7-14(13)20-17(16)18(24)25-2/h6-7,9,11,20H,3-5,8,10H2,1-2H3,(H,21,23)