1-[4-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]ethanone Formula: C20H20FN3O4 MolecularWeight: 385.388903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O4/c1-14(25)16-5-8-18(19(13-16)24(27)28)22-9-2-10-23(12-11-22)20(26)15-3-6-17(21)7-4-15/h3-8,13H,2,9-12H2,1H3