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

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone; ethanedioic acid Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(3-bromobenzyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C24H23BrN2O5 MolecularWeight: 499.35382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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