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

Systemtic Name: ethyl 6-bromanyl-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-cyclohexyl-4-(morpholin-4-ylmethyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-cyclohexyl-5-hydroxy-4-(morpholinomethyl)indole-3-carboxylate CAS Name: 6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-1-cyclohexyl-5-hydroxy-4-(4-morpholinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[[4-(cyanomethyl)piperazin-1-yl]methyl]-1-cyclohexyl-5-hydroxy-4-(morpholin-4-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-2-[[4-(cyanomethyl)piperazino]methyl]-1-cyclohexyl-5-hydroxy-4-(morpholinomethyl)indole-3-carboxylic acid ethyl ester Formula: C29H40BrN5O4 MolecularWeight: 602.563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCOCC3)O)Br)C4CCCCC4)CN5CCN(CC5)CC#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCOCC3)O)Br)C4CCCCC4)CN5CCN(CC5)CC#N

InChI

InChI=1S/C29H40BrN5O4/c1-2-39-29(37)27-25(20-33-12-10-32(9-8-31)11-13-33)35(21-6-4-3-5-7-21)24-18-23(30)28(36)22(26(24)27)19-34-14-16-38-17-15-34/h18,21,36H,2-7,9-17,19-20H2,1H3