3-[3,5-bis(trifluoromethyl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,1-bis(2-pyridylmethyl)urea CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,1-bis(2-pyridinylmethyl)urea IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,1-bis(2-pyridylmethyl)urea Formula: C21H16F6N4O MolecularWeight: 454.368359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H16F6N4O/c22-20(23,24)14-9-15(21(25,26)27)11-18(10-14)30-19(32)31(12-16-5-1-3-7-28-16)13-17-6-2-4-8-29-17/h1-11H,12-13H2,(H,30,32)