2-(azepan-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 2-(azepan-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 2-(azepan-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 2-(1-azepanyl)-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 2-(azepan-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 2-(azepan-1-yl)-5-nitro-N-[3-(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)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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