1-(2-bromanyl-5-nitro-phenyl)-3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-(2-bromanyl-5-nitro-phenyl)-3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 1-(2-bromo-5-nitro-phenyl)-3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 1-(2-bromo-5-nitrophenyl)-3-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-(2-bromo-5-nitrophenyl)-3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 1-(2-bromo-5-nitro-phenyl)-3-[4-(3-fluorobenzyl)piperazino]propan-1-one Formula: C20H21BrFN3O3 MolecularWeight: 450.301443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H21BrFN3O3/c21-19-5-4-17(25(27)28)13-18(19)20(26)6-7-23-8-10-24(11-9-23)14-15-2-1-3-16(22)12-15/h1-5,12-13H,6-11,14H2