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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(3-nitropyridin-2-yl)-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(3-nitro-2-pyridyl)-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(3-nitro-2-pyridinyl)-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(3-nitropyridin-2-yl)-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(3-nitro-2-pyridyl)-1,4-diazepane Formula: C16H15ClF3N5O2 MolecularWeight: 401.77081

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClF3N5O2/c17-12-9-11(16(18,19)20)10-22-14(12)23-5-2-6-24(8-7-23)15-13(25(26)27)3-1-4-21-15/h1,3-4,9-10H,2,5-8H2