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

Systemtic Name: 1-ethyl-3-[4-(3-fluoranylpyridin-2-yl)-6-(6-propylpyridin-3-yl)-1H-benzimidazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-(3-fluoro-2-pyridyl)-6-(6-propyl-3-pyridyl)-1H-benzimidazol-2-yl]urea CAS Name: 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-(6-propyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-(3-fluoropyridin-2-yl)-6-(6-propylpyridin-3-yl)-1H-benzimidazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-(3-fluoro-2-pyridyl)-6-(6-propyl-3-pyridyl)-1H-benzimidazol-2-yl]urea Formula: C23H23FN6O MolecularWeight: 418.466723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=C1)C2=CC(=C3C(=C2)NC(=N3)NC(=O)NCC)C4=C(C=CC=N4)F

Isomeric SMILES

CCCC1=NC=C(C=C1)C2=CC(=C3C(=C2)NC(=N3)NC(=O)NCC)C4=C(C=CC=N4)F

InChI

InChI=1S/C23H23FN6O/c1-3-6-16-9-8-14(13-27-16)15-11-17(20-18(24)7-5-10-26-20)21-19(12-15)28-22(29-21)30-23(31)25-4-2/h5,7-13H,3-4,6H2,1-2H3,(H3,25,28,29,30,31)