1-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; ethanedioic acid

Systemtic Name: 1-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; ethanedioic acid Openeye Name: 1-[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 1-[4-(3-bromo-4-methoxy-benzyl)piperazino]-2,2-diphenyl-ethanone; oxalic acid Formula: C28H29BrN2O6 MolecularWeight: 569.44366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H27BrN2O2.C2H2O4/c1-31-24-13-12-20(18-23(24)27)19-28-14-16-29(17-15-28)26(30)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22;3-1(4)2(5)6/h2-13,18,25H,14-17,19H2,1H3;(H,3,4)(H,5,6)