1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane Traditional Name: 1-benzyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane Formula: C19H20F3N3O2 MolecularWeight: 379.37621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H20F3N3O2/c20-19(21,22)16-7-8-17(18(13-16)25(26)27)24-10-4-9-23(11-12-24)14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2