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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]indole-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-phenyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-phenylindole-3-carboxylate Traditional Name: 2-[(4-benzylpiperazino)methyl]-6-bromo-5-methoxy-1-phenyl-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)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32BrN3O3/c1-3-37-30(35)29-24-18-28(36-2)25(31)19-26(24)34(23-12-8-5-9-13-23)27(29)21-33-16-14-32(15-17-33)20-22-10-6-4-7-11-22/h4-13,18-19H,3,14-17,20-21H2,1-2H3