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

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-5-nitro-benzonitrile Formula: C18H15ClF3N5O2 MolecularWeight: 425.79221

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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=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClF3N5O2/c19-15-9-13(18(20,21)22)11-24-17(15)26-5-1-4-25(6-7-26)16-3-2-14(27(28)29)8-12(16)10-23/h2-3,8-9,11H,1,4-7H2