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2-[(4-benzylpiperazino)methyl]-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 3IsIGxZ9f7b
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
InChIKey NKKQQYDGUORKPA-UHFFFAOYSA-N
Mol Weight 562.5 g/mol
Molecular Formula C30H32BrN3O3
Exact Mass 561.162705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FL3YlKEKjH
Name 2-[(4-benzylpiperazino)methyl]-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylic acid ethyl ester
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Formula C30H32BrN3O3
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
InChIKey NKKQQYDGUORKPA-UHFFFAOYSA-N
Molecular Weight 562.508 g/mol
SMILES c1(c([n](-c2ccccc2)c2c1cc(c(Br)c2)OC)CN1CCN(CC1)Cc1ccccc1)C(=O)OCC
SPLASH splash10-004l-4905020000-fcaf3e1b44022f634037
Synonyms 6-Bromo-5-methoxy-1-phenyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-indolecarboxylic acid ethyl ester Ethyl 2-[(4-benzyl-1-piperazinyl)methyl]-6-bromo-5-methoxy-1-phenyl-1H-indole-3-carboxylate Ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylate Ethyl 6-bromanyl-5-methoxy-1-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]indole-3-carboxylate
Wiley ID 1436659