1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone; ethanedioic acid

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone; ethanedioic acid Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazino]-2-phenyl-ethanone; oxalic acid Formula: C22H25BrN2O6 MolecularWeight: 493.3477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O2.C2H2O4/c1-25-19-8-7-18(21)14-17(19)15-22-9-11-23(12-10-22)20(24)13-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-8,14H,9-13,15H2,1H3;(H,3,4)(H,5,6)