4-(azepan-1-yl)-3-nitro-N-[2,3,4-tris(fluoranyl)phenyl]benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-[2,3,4-tris(fluoranyl)phenyl]benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(2,3,4-trifluorophenyl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-(2,3,4-trifluorophenyl)benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-(2,3,4-trifluorophenyl)benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-(2,3,4-trifluorophenyl)benzamide Formula: C19H18F3N3O3 MolecularWeight: 393.35973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=C(C=C3)F)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=C(C=C3)F)F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O3/c20-13-6-7-14(18(22)17(13)21)23-19(26)12-5-8-15(16(11-12)25(27)28)24-9-3-1-2-4-10-24/h5-8,11H,1-4,9-10H2,(H,23,26)