(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-(2-chloro-4-fluoro-benzyl)piperazino]methanone Formula: C21H23BrClFN2O3 MolecularWeight: 485.774323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)OC

InChI

InChI=1S/C21H23BrClFN2O3/c1-3-29-20-17(22)10-15(11-19(20)28-2)21(27)26-8-6-25(7-9-26)13-14-4-5-16(24)12-18(14)23/h4-5,10-12H,3,6-9,13H2,1-2H3