1-[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]propan-1-one Formula: C19H27FN4O3 MolecularWeight: 378.441083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCCCC3

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCCCC3

InChI

InChI=1S/C19H27FN4O3/c1-2-19(25)23-11-9-22(10-12-23)17-14-16(15(20)13-18(17)24(26)27)21-7-5-3-4-6-8-21/h13-14H,2-12H2,1H3