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

Systemtic Name: 1-[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]-2,2-dimethyl-propan-1-one Formula: C21H31FN4O3 MolecularWeight: 406.494243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31FN4O3/c1-21(2,3)20(27)25-12-10-24(11-13-25)18-15-17(16(22)14-19(18)26(28)29)23-8-6-4-5-7-9-23/h14-15H,4-13H2,1-3H3