2-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate

Systemtic Name: 2-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate Openeye Name: 2-[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-yl]ethyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate CAS Name: 4-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylic acid 2-[4-(3-bromo-4-methoxy-benzyl)piperazino]ethyl ester Formula: C27H37BrN4O5 MolecularWeight: 577.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CCOC(=O)N3CCN(CC3)C4=CC(=CC(=C4)OC)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CCOC(=O)N3CCN(CC3)C4=CC(=CC(=C4)OC)OC)Br

InChI

InChI=1S/C27H37BrN4O5/c1-34-23-17-22(18-24(19-23)35-2)31-10-12-32(13-11-31)27(33)37-15-14-29-6-8-30(9-7-29)20-21-4-5-26(36-3)25(28)16-21/h4-5,16-19H,6-15,20H2,1-3H3