1-[(3-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine CAS Name: 1-[(3-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine Traditional Name: 1-(3-bromobenzyl)-4-(4,5-dimethoxy-2-nitro-benzyl)piperazine Formula: C20H24BrN3O4 MolecularWeight: 450.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CC(=CC=C3)Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)CC3=CC(=CC=C3)Br)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24BrN3O4/c1-27-19-11-16(18(24(25)26)12-20(19)28-2)14-23-8-6-22(7-9-23)13-15-4-3-5-17(21)10-15/h3-5,10-12H,6-9,13-14H2,1-2H3