3-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 3-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea Openeye Name: 1-(2-cyanoethyl)-3-(2,6-dibromo-4-isopropyl-phenyl)-1-(3-pyridylmethyl)urea CAS Name: 1-(2-cyanoethyl)-3-(2,6-dibromo-4-propan-2-ylphenyl)-1-(3-pyridinylmethyl)urea IUPAC Name: 1-(2-cyanoethyl)-3-(2,6-dibromo-4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)urea Traditional Name: 1-(2-cyanoethyl)-3-(2,6-dibromo-4-isopropyl-phenyl)-1-(3-pyridylmethyl)urea Formula: C19H20Br2N4O MolecularWeight: 480.1963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)Br)NC(=O)N(CCC#N)CC2=CN=CC=C2)Br

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)Br)NC(=O)N(CCC#N)CC2=CN=CC=C2)Br

InChI

InChI=1S/C19H20Br2N4O/c1-13(2)15-9-16(20)18(17(21)10-15)24-19(26)25(8-4-6-22)12-14-5-3-7-23-11-14/h3,5,7,9-11,13H,4,8,12H2,1-2H3,(H,24,26)