4-(azepan-1-yl)-N-(4-fluoranyl-2-methyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(4-fluoranyl-2-methyl-phenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(4-fluoro-2-methyl-phenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(4-fluoro-2-methyl-phenyl)-3-nitro-benzamide Formula: C20H22FN3O3 MolecularWeight: 371.405383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O3/c1-14-12-16(21)7-8-17(14)22-20(25)15-6-9-18(19(13-15)24(26)27)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11H2,1H3,(H,22,25)