1-(3-methyl-5-nitro-imidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-(3-methyl-5-nitro-4-imidazolyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-(3-methyl-5-nitroimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-(3-methyl-5-nitro-imidazol-4-yl)-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane Formula: C17H20F3N5O2 MolecularWeight: 383.36821

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCCN(CC2)CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H20F3N5O2/c1-22-12-21-15(25(26)27)16(22)24-8-2-7-23(9-10-24)11-13-3-5-14(6-4-13)17(18,19)20/h3-6,12H,2,7-11H2,1H3