3-nitro-N-propan-2-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]benzamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]benzamide Openeye Name: N-isopropyl-3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]benzamide CAS Name: 3-nitro-N-propan-2-yl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]benzamide Traditional Name: N-isopropyl-3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]benzamide Formula: C21H24F3N5O3 MolecularWeight: 451.44217

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H24F3N5O3/c1-14(2)26-20(30)15-4-6-17(18(12-15)29(31)32)27-8-3-9-28(11-10-27)19-7-5-16(13-25-19)21(22,23)24/h4-7,12-14H,3,8-11H2,1-2H3,(H,26,30)