1-(5-nitropyridin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(5-nitropyridin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(5-nitro-2-pyridyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(5-nitro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(5-nitropyridin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(5-nitro-2-pyridyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C16H16F3N5O2 MolecularWeight: 367.32575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N5O2/c17-16(18,19)12-2-4-14(20-10-12)22-6-1-7-23(9-8-22)15-5-3-13(11-21-15)24(25)26/h2-5,10-11H,1,6-9H2