N-[2,4-bis(fluoranyl)phenyl]-4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(5-cyano-2-pyridin-1-iumyl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide Formula: C18H18F2N5O+ MolecularWeight: 358.365226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)C3=[NH+]C=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)C3=[NH+]C=C(C=C3)C#N

InChI

InChI=1S/C18H17F2N5O/c19-14-3-4-16(15(20)10-14)23-18(26)25-7-1-6-24(8-9-25)17-5-2-13(11-21)12-22-17/h2-5,10,12H,1,6-9H2,(H,23,26)/p+1