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

Systemtic Name: 4-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: 4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C19H19FN4O4 MolecularWeight: 386.376963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN4O4/c20-15-5-2-13(3-6-15)19(26)23-9-1-8-22(10-11-23)16-7-4-14(18(21)25)12-17(16)24(27)28/h2-7,12H,1,8-11H2,(H2,21,25)