1-(3-nitropyridin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(3-nitropyridin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(3-nitro-2-pyridyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(3-nitro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(3-nitropyridin-2-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(3-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=C(C=CC=N2)[N+](=O)[O-])C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=CC=N2)[N+](=O)[O-])C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H16F3N5O2/c17-16(18,19)12-4-5-14(21-11-12)22-7-2-8-23(10-9-22)15-13(24(25)26)3-1-6-20-15/h1,3-6,11H,2,7-10H2