1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea

Systemtic Name: 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea Openeye Name: 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(4-pyridylmethyl)phenyl]urea CAS Name: 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea IUPAC Name: 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea Traditional Name: 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(4-pyridylmethyl)phenyl]urea Formula: C21H18F3N3O2 MolecularWeight: 401.38173

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C21H18F3N3O2/c1-29-19-7-4-16(21(22,23)24)13-18(19)27-20(28)26-17-5-2-14(3-6-17)12-15-8-10-25-11-9-15/h2-11,13H,12H2,1H3,(H2,26,27,28)