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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-cyclohexyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-cyclohexyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-1-cyclohexyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-cyclohexylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[4-(cyanomethyl)piperazino]methyl]-1-cyclohexyl-indole-3-carboxylic acid ethyl ester Formula: C26H33BrN4O4 MolecularWeight: 545.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3CCCCC3)CN4CCN(CC4)CC#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3CCCCC3)CN4CCN(CC4)CC#N

InChI

InChI=1S/C26H33BrN4O4/c1-3-34-26(33)25-20-15-24(35-18(2)32)21(27)16-22(20)31(19-7-5-4-6-8-19)23(25)17-30-13-11-29(10-9-28)12-14-30/h15-16,19H,3-8,10-14,17H2,1-2H3