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

Systemtic Name: 1-[(1R)-1-(5-chloranylpyridin-2-yl)-1-[3-fluoranyl-5-(trifluoromethyl)phenyl]-2-phenyl-ethyl]-3-[(1R,2R)-2-(dimethylamino)cyclopentyl]urea Openeye Name: 1-[(1R)-1-(5-chloro-2-pyridyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-ethyl]-3-[(1R,2R)-2-(dimethylamino)cyclopentyl]urea CAS Name: 1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-[(1R,2R)-2-(dimethylamino)cyclopentyl]urea IUPAC Name: 1-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-[(1R,2R)-2-(dimethylamino)cyclopentyl]urea Traditional Name: 1-[(1R)-1-(5-chloro-2-pyridyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-ethyl]-3-[(1R,2R)-2-(dimethylamino)cyclopentyl]urea Formula: C28H29ClF4N4O MolecularWeight: 549.002673

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCCC1NC(=O)NC(CC2=CC=CC=C2)(C3=NC=C(C=C3)Cl)C4=CC(=CC(=C4)F)C(F)(F)F

Isomeric SMILES

CN(C)[C@@H]1CCC[C@H]1NC(=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/C28H29ClF4N4O/c1-37(2)24-10-6-9-23(24)35-26(38)36-27(16-18-7-4-3-5-8-18,25-12-11-21(29)17-34-25)19-13-20(28(31,32)33)15-22(30)14-19/h3-5,7-8,11-15,17,23-24H,6,9-10,16H2,1-2H3,(H2,35,36,38)/t23-,24-,27-/m1/s1