ethyl 4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H27FN4O4 MolecularWeight: 394.440483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27FN4O4/c1-2-28-19(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