(4-bromophenyl)-[(2S)-4-(2-fluoranyl-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[(2S)-4-(2-fluoranyl-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[(2S)-4-(2-fluoro-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[(2S)-4-(2-fluoro-5-methyl-4-nitrophenyl)-2-methyl-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[(2S)-4-(2-fluoro-5-methyl-4-nitrophenyl)-2-methylpiperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[(2S)-4-(2-fluoro-5-methyl-4-nitro-phenyl)-2-methyl-piperazino]methanone Formula: C19H19BrFN3O3 MolecularWeight: 436.274863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrFN3O3/c1-12-9-18(16(21)10-17(12)24(26)27)22-7-8-23(13(2)11-22)19(25)14-3-5-15(20)6-4-14/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m0/s1