ethyl 6-bromanyl-5-methoxy-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-2-[[4-(4-nitrophenyl)piperazino]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C29H29BrN4O5 MolecularWeight: 593.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H29BrN4O5/c1-3-39-29(35)28-23-17-27(38-2)24(30)18-25(23)33(21-7-5-4-6-8-21)26(28)19-31-13-15-32(16-14-31)20-9-11-22(12-10-20)34(36)37/h4-12,17-18H,3,13-16,19H2,1-2H3