1-(5-bromanyl-2-methoxy-phenyl)-3-[5-fluoranyl-1-(pyridin-4-ylmethyl)indol-4-yl]urea

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-3-[5-fluoranyl-1-(pyridin-4-ylmethyl)indol-4-yl]urea Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-3-[5-fluoro-1-(4-pyridylmethyl)indol-4-yl]urea CAS Name: 1-(5-bromo-2-methoxyphenyl)-3-[5-fluoro-1-(pyridin-4-ylmethyl)-4-indolyl]urea IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-3-[5-fluoro-1-(pyridin-4-ylmethyl)indol-4-yl]urea Traditional Name: 1-(5-bromo-2-methoxy-phenyl)-3-[5-fluoro-1-(4-pyridylmethyl)indol-4-yl]urea Formula: C22H18BrFN4O2 MolecularWeight: 469.306323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)NC(=O)NC2=C(C=CC3=C2C=CN3CC4=CC=NC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)NC(=O)NC2=C(C=CC3=C2C=CN3CC4=CC=NC=C4)F

InChI

InChI=1S/C22H18BrFN4O2/c1-30-20-5-2-15(23)12-18(20)26-22(29)27-21-16-8-11-28(19(16)4-3-17(21)24)13-14-6-9-25-10-7-14/h2-12H,13H2,1H3,(H2,26,27,29)