[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; ethanedioic acid

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; ethanedioic acid Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(3-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=C2)Br)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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