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

Systemtic Name: (4-bromophenyl)-[4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-(4-fluoro-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-[4-fluoro-2-nitro-5-(1-pyrrolidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-(4-fluoro-2-nitro-5-pyrrolidino-phenyl)piperazino]methanone Formula: C21H22BrFN4O3 MolecularWeight: 477.326783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-])F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-])F

InChI

InChI=1S/C21H22BrFN4O3/c22-16-5-3-15(4-6-16)21(28)26-11-9-25(10-12-26)19-14-18(24-7-1-2-8-24)17(23)13-20(19)27(29)30/h3-6,13-14H,1-2,7-12H2