ethyl 6-bromanyl-2-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[(4-methyl-1-piperazinyl)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-[(4-methylpiperazino)methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C23H26BrN3O3 MolecularWeight: 472.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)C

InChI

InChI=1S/C23H26BrN3O3/c1-3-30-23(29)22-17-13-21(28)18(24)14-19(17)27(16-7-5-4-6-8-16)20(22)15-26-11-9-25(2)10-12-26/h4-8,13-14,28H,3,9-12,15H2,1-2H3