2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]acetamide Formula: C17H23F3N4O3 MolecularWeight: 388.38473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H23F3N4O3/c1-12(2)21-16(25)11-22-6-3-7-23(9-8-22)14-5-4-13(17(18,19)20)10-15(14)24(26)27/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,21,25)