1-(4-butyl-2-methyl-phenyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]urea

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]urea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]urea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]urea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]urea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]urea Formula: C22H28F3N5O MolecularWeight: 435.48583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)NC2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)NC2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F)C

InChI

InChI=1S/C22H28F3N5O/c1-3-4-5-16-6-7-18(15(2)14-16)28-21(31)27-17-9-12-30(13-10-17)20-26-11-8-19(29-20)22(23,24)25/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H2,27,28,31)