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

Systemtic Name: 1-[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]-2-methyl-propan-1-one Formula: C20H29FN4O3 MolecularWeight: 392.467663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29FN4O3/c1-15(2)20(26)24-11-9-23(10-12-24)18-14-17(16(21)13-19(18)25(27)28)22-7-5-3-4-6-8-22/h13-15H,3-12H2,1-2H3