[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; ethanedioic acid

Systemtic Name: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; ethanedioic acid Openeye Name: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-[(2-bromophenyl)methyl]-1-piperazinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(2-bromobenzyl)piperazino]-(4-phenylphenyl)methanone; oxalic acid Formula: C26H25BrN2O5 MolecularWeight: 525.3911

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Br)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Br)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H23BrN2O.C2H2O4/c25-23-9-5-4-8-22(23)18-26-14-16-27(17-15-26)24(28)21-12-10-20(11-13-21)19-6-2-1-3-7-19;3-1(4)2(5)6/h1-13H,14-18H2;(H,3,4)(H,5,6)