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

Systemtic Name: 1-ethyl-3-[4-(3-fluoranylpyridin-2-yl)-6-[6-(piperazin-1-ylmethyl)pyridin-3-yl]-1H-benzimidazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-(3-fluoro-2-pyridyl)-6-[6-(piperazin-1-ylmethyl)-3-pyridyl]-1H-benzimidazol-2-yl]urea CAS Name: 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(1-piperazinylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-(3-fluoropyridin-2-yl)-6-[6-(piperazin-1-ylmethyl)pyridin-3-yl]-1H-benzimidazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-(3-fluoro-2-pyridyl)-6-[6-(piperazinomethyl)-3-pyridyl]-1H-benzimidazol-2-yl]urea Formula: C25H27FN8O MolecularWeight: 474.533283

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCNCC4)C5=C(C=CC=N5)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCNCC4)C5=C(C=CC=N5)F

InChI

InChI=1S/C25H27FN8O/c1-2-28-25(35)33-24-31-21-13-17(12-19(23(21)32-24)22-20(26)4-3-7-29-22)16-5-6-18(30-14-16)15-34-10-8-27-9-11-34/h3-7,12-14,27H,2,8-11,15H2,1H3,(H3,28,31,32,33,35)