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

Systemtic Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone; ethanedioic acid Openeye Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[(4-bromophenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(4-bromobenzyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C24H23BrN2O5 MolecularWeight: 499.35382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H21BrN2O.C2H2O4/c23-19-10-8-17(9-11-19)16-24-12-14-25(15-13-24)22(26)21-7-3-5-18-4-1-2-6-20(18)21;3-1(4)2(5)6/h1-11H,12-16H2;(H,3,4)(H,5,6)