[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(2-bromophenyl)methyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(2-bromobenzyl)piperazino]-(4-nitrophenyl)methanone Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Br)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Br)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O3/c19-17-4-2-1-3-15(17)13-20-9-11-21(12-10-20)18(23)14-5-7-16(8-6-14)22(24)25/h1-8H,9-13H2