1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]urea

Systemtic Name: 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]urea Openeye Name: 1-(2,6-dibromo-4-isopropyl-phenyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]urea CAS Name: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]urea IUPAC Name: 1-(2,6-dibromo-4-propan-2-ylphenyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]urea Traditional Name: 1-(2,6-dibromo-4-isopropyl-phenyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]urea Formula: C20H22Br2F3N5O MolecularWeight: 565.22479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NC2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F)Br

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)Br)NC(=O)NC2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F)Br

InChI

InChI=1S/C20H22Br2F3N5O/c1-11(2)12-9-14(21)17(15(22)10-12)29-19(31)27-13-4-7-30(8-5-13)18-26-6-3-16(28-18)20(23,24)25/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H2,27,29,31)