1-[(1R)-1-(5-chloranylpyridin-2-yl)-1-[3-fluoranyl-5-(trifluoromethyl)phenyl]-2-phenyl-ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea

Systemtic Name: 1-[(1R)-1-(5-chloranylpyridin-2-yl)-1-[3-fluoranyl-5-(trifluoromethyl)phenyl]-2-phenyl-ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea Openeye Name: 1-[(1R)-1-(5-chloro-2-pyridyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea CAS Name: 1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea IUPAC Name: 1-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea Traditional Name: 1-[(1R)-1-(5-chloro-2-pyridyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-ethyl]-3-(1-methylolcyclopentyl)urea Formula: C27H26ClF4N3O2 MolecularWeight: 535.960853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CO)NC(=O)NC(CC2=CC=CC=C2)(C3=NC=C(C=C3)Cl)C4=CC(=CC(=C4)F)C(F)(F)F

Isomeric SMILES

C1CCC(C1)(CO)NC(=O)N[C@@](CC2=CC=CC=C2)(C3=NC=C(C=C3)Cl)C4=CC(=CC(=C4)F)C(F)(F)F

InChI

InChI=1S/C27H26ClF4N3O2/c28-21-8-9-23(33-16-21)26(15-18-6-2-1-3-7-18,19-12-20(27(30,31)32)14-22(29)13-19)35-24(37)34-25(17-36)10-4-5-11-25/h1-3,6-9,12-14,16,36H,4-5,10-11,15,17H2,(H2,34,35,37)/t26-/m1/s1