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

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone Openeye Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-[4-(2-phenoxyethyl)-1-piperazinyl]methanone IUPAC Name: (4-bromo-3,5-dimethoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone Traditional Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-(2-phenoxyethyl)piperazino]methanone Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H25BrN2O4/c1-26-18-14-16(15-19(27-2)20(18)22)21(25)24-10-8-23(9-11-24)12-13-28-17-6-4-3-5-7-17/h3-7,14-15H,8-13H2,1-2H3