ethyl 6-bromanyl-1-(3-bromophenyl)-2-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-(3-bromophenyl)-2-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-(3-bromophenyl)-5-hydroxy-2-methyl-4-[[4-(o-tolyl)piperazin-1-yl]methyl]indole-3-carboxylate CAS Name: 6-bromo-1-(3-bromophenyl)-5-hydroxy-2-methyl-4-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-(3-bromophenyl)-5-hydroxy-2-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]indole-3-carboxylate Traditional Name: 6-bromo-1-(3-bromophenyl)-5-hydroxy-2-methyl-4-[[4-(o-tolyl)piperazino]methyl]indole-3-carboxylic acid ethyl ester Formula: C30H31Br2N3O3 MolecularWeight: 641.39344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCN(CC3)C4=CC=CC=C4C)O)Br)C5=CC(=CC=C5)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCN(CC3)C4=CC=CC=C4C)O)Br)C5=CC(=CC=C5)Br)C

InChI

InChI=1S/C30H31Br2N3O3/c1-4-38-30(37)27-20(3)35(22-10-7-9-21(31)16-22)26-17-24(32)29(36)23(28(26)27)18-33-12-14-34(15-13-33)25-11-6-5-8-19(25)2/h5-11,16-17,36H,4,12-15,18H2,1-3H3