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

Systemtic Name: 1-[(1R)-1-(5-chloranylpyridin-2-yl)-1-[3-fluoranyl-5-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethyl]-3-cyclopentyl-urea Openeye Name: 1-[(1R)-1-(5-chloro-2-pyridyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(m-tolyl)ethyl]-3-cyclopentyl-urea CAS Name: 1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethyl]-3-cyclopentylurea IUPAC Name: 1-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethyl]-3-cyclopentylurea Traditional Name: 1-[(1R)-1-(5-chloro-2-pyridyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(m-tolyl)ethyl]-3-cyclopentyl-urea Formula: C27H26ClF4N3O MolecularWeight: 519.961453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C2=NC=C(C=C2)Cl)(C3=CC(=CC(=C3)F)C(F)(F)F)NC(=O)NC4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[C@](C2=NC=C(C=C2)Cl)(C3=CC(=CC(=C3)F)C(F)(F)F)NC(=O)NC4CCCC4

InChI

InChI=1S/C27H26ClF4N3O/c1-17-5-4-6-18(11-17)15-26(24-10-9-21(28)16-33-24,35-25(36)34-23-7-2-3-8-23)19-12-20(27(30,31)32)14-22(29)13-19/h4-6,9-14,16,23H,2-3,7-8,15H2,1H3,(H2,34,35,36)/t26-/m1/s1