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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(2-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(2-pyridylmethyl)piperazine; oxalic acid Formula: C20H24BrN3O5 MolecularWeight: 466.32566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22BrN3O.C2H2O4/c1-23-18-6-5-16(19)12-15(18)13-21-8-10-22(11-9-21)14-17-4-2-3-7-20-17;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)