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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-[[4-(p-tolyl)piperazin-1-yl]methyl]indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-2-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-phenyl-2-[[4-(p-tolyl)piperazino]methyl]indole-3-carboxylic acid ethyl ester Formula: C30H32BrN3O3 MolecularWeight: 562.49738

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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)C

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)C

InChI

InChI=1S/C30H32BrN3O3/c1-4-37-30(35)29-24-18-28(36-3)25(31)19-26(24)34(23-8-6-5-7-9-23)27(29)20-32-14-16-33(17-15-32)22-12-10-21(2)11-13-22/h5-13,18-19H,4,14-17,20H2,1-3H3