ethyl 5-acetyloxy-6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[4-(cyanomethyl)piperazino]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H25BrN4O4 MolecularWeight: 477.3516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CN3CCN(CC3)CC#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CN3CCN(CC3)CC#N

InChI

InChI=1S/C21H25BrN4O4/c1-4-29-21(28)20-15-11-19(30-14(2)27)16(22)12-17(15)24(3)18(20)13-26-9-7-25(6-5-23)8-10-26/h11-12H,4,6-10,13H2,1-3H3