1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(3-fluorobenzyl)piperazine; oxalic acid Formula: C21H24BrFN2O5 MolecularWeight: 483.328063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22BrFN2O.C2H2O4/c1-24-19-6-5-17(20)12-16(19)14-23-9-7-22(8-10-23)13-15-3-2-4-18(21)11-15;3-1(4)2(5)6/h2-6,11-12H,7-10,13-14H2,1H3;(H,3,4)(H,5,6)