[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-hydroxy-4-nitro-phenyl)methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-hydroxy-4-nitrophenyl)methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-hydroxy-4-nitrophenyl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-(3-hydroxy-4-nitro-phenyl)methanone Formula: C19H20FN3O4 MolecularWeight: 373.378203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O4/c20-16-5-2-14(3-6-16)13-21-8-1-9-22(11-10-21)19(25)15-4-7-17(23(26)27)18(24)12-15/h2-7,12,24H,1,8-11,13H2