4-(azepan-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Formula: C20H20F3N3O3 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N3O3/c21-20(22,23)15-6-8-16(9-7-15)24-19(27)14-5-10-17(18(13-14)26(28)29)25-11-3-1-2-4-12-25/h5-10,13H,1-4,11-12H2,(H,24,27)