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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O3/c1-13-12-20(16-6-8-17(9-7-16)22(24)25)10-11-21(13)18(23)14-2-4-15(19)5-3-14/h2-9,13H,10-12H2,1H3/t13-/m0/s1