1-[6-(6-cyanopyridin-3-yl)-4-(3-fluoranylpyridin-2-yl)-1H-benzimidazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[6-(6-cyanopyridin-3-yl)-4-(3-fluoranylpyridin-2-yl)-1H-benzimidazol-2-yl]-3-ethyl-urea Openeye Name: 1-[6-(6-cyano-3-pyridyl)-4-(3-fluoro-2-pyridyl)-1H-benzimidazol-2-yl]-3-ethyl-urea CAS Name: 1-[6-(6-cyano-3-pyridinyl)-4-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea IUPAC Name: 1-[6-(6-cyanopyridin-3-yl)-4-(3-fluoropyridin-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea Traditional Name: 1-[6-(6-cyano-3-pyridyl)-4-(3-fluoro-2-pyridyl)-1H-benzimidazol-2-yl]-3-ethyl-urea Formula: C21H16FN7O MolecularWeight: 401.396443

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)C#N)C4=C(C=CC=N4)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)C#N)C4=C(C=CC=N4)F

InChI

InChI=1S/C21H16FN7O/c1-2-24-21(30)29-20-27-17-9-13(12-5-6-14(10-23)26-11-12)8-15(19(17)28-20)18-16(22)4-3-7-25-18/h3-9,11H,2H2,1H3,(H3,24,27,28,29,30)