2-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethyl 4-(1H-indol-4-yl)piperazine-1-carboxylate

Systemtic Name: 2-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Openeye Name: 2-[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-yl]ethyl 4-(1H-indol-4-yl)piperazine-1-carboxylate CAS Name: 4-(1H-indol-4-yl)-1-piperazinecarboxylic acid 2-[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl 4-(1H-indol-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1H-indol-4-yl)piperazine-1-carboxylic acid 2-[4-(3-bromo-4-methoxy-benzyl)piperazino]ethyl ester Formula: C27H34BrN5O3 MolecularWeight: 556.49456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CCOC(=O)N3CCN(CC3)C4=CC=CC5=C4C=CN5)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CCOC(=O)N3CCN(CC3)C4=CC=CC5=C4C=CN5)Br

InChI

InChI=1S/C27H34BrN5O3/c1-35-26-6-5-21(19-23(26)28)20-31-11-9-30(10-12-31)17-18-36-27(34)33-15-13-32(14-16-33)25-4-2-3-24-22(25)7-8-29-24/h2-8,19,29H,9-18,20H2,1H3