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

Systemtic Name: (3-bromophenyl)-[(2S)-2-methyl-4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[(2S)-2-methyl-4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[(2S)-2-methyl-4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[(2S)-2-methyl-4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-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(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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