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

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-3-[2-(pyridin-4-ylmethyl)-1H-benzimidazol-4-yl]urea Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-3-[2-(4-pyridylmethyl)-1H-benzimidazol-4-yl]urea CAS Name: 1-(5-bromo-2-methoxyphenyl)-3-[2-(pyridin-4-ylmethyl)-1H-benzimidazol-4-yl]urea IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-3-[2-(pyridin-4-ylmethyl)-1H-benzimidazol-4-yl]urea Traditional Name: 1-(5-bromo-2-methoxy-phenyl)-3-[2-(4-pyridylmethyl)-1H-benzimidazol-4-yl]urea Formula: C21H18BrN5O2 MolecularWeight: 452.30392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)NC(=O)NC2=CC=CC3=C2N=C(N3)CC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)NC(=O)NC2=CC=CC3=C2N=C(N3)CC4=CC=NC=C4

InChI

InChI=1S/C21H18BrN5O2/c1-29-18-6-5-14(22)12-17(18)26-21(28)25-16-4-2-3-15-20(16)27-19(24-15)11-13-7-9-23-10-8-13/h2-10,12H,11H2,1H3,(H,24,27)(H2,25,26,28)