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

Systemtic Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; ethanedioic acid Openeye Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 1-[4-(3-bromobenzyl)piperazino]-2,2-diphenyl-ethanone; oxalic acid Formula: C27H27BrN2O5 MolecularWeight: 539.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H25BrN2O.C2H2O4/c26-23-13-7-8-20(18-23)19-27-14-16-28(17-15-27)25(29)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;3-1(4)2(5)6/h1-13,18,24H,14-17,19H2;(H,3,4)(H,5,6)