2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-nitro-benzonitrile Formula: C19H17FN4O3 MolecularWeight: 368.361683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN4O3/c20-16-4-2-14(3-5-16)19(25)23-9-1-8-22(10-11-23)18-7-6-17(24(26)27)12-15(18)13-21/h2-7,12H,1,8-11H2