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

Systemtic Name: 3-nitro-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]benzamide Openeye Name: 3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]benzamide CAS Name: 3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-nitro-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]benzamide Traditional Name: 3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]benzamide Formula: C18H18F3N5O3 MolecularWeight: 409.36243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N5O3/c19-18(20,21)13-3-5-16(23-11-13)25-7-1-6-24(8-9-25)14-4-2-12(17(22)27)10-15(14)26(28)29/h2-5,10-11H,1,6-9H2,(H2,22,27)