4-(3-cyanopyridin-1-ium-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-2-pyridin-1-iumyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Formula: C18H19FN5O+ MolecularWeight: 340.374763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2F)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2F)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C18H18FN5O/c19-15-6-1-2-7-16(15)22-18(25)24-10-4-9-23(11-12-24)17-14(13-20)5-3-8-21-17/h1-3,5-8H,4,9-12H2,(H,22,25)/p+1