(4-bromanyl-3,5-dimethoxy-phenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-bromo-3,5-dimethoxyphenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-(coumaran-5-ylmethyl)piperazino]methanone Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H25BrN2O4/c1-27-19-12-17(13-20(28-2)21(19)23)22(26)25-8-6-24(7-9-25)14-15-3-4-18-16(11-15)5-10-29-18/h3-4,11-13H,5-10,14H2,1-2H3