(4-fluorophenyl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-fluorophenyl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C17H17FN4O3 MolecularWeight: 344.340283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O3/c18-14-4-2-13(3-5-14)17(23)21-9-1-8-20(10-11-21)16-7-6-15(12-19-16)22(24)25/h2-7,12H,1,8-11H2