1-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)phenyl]-3-phenyl-urea

Systemtic Name: 1-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)phenyl]-3-phenyl-urea Openeye Name: 1-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)phenyl]-3-phenyl-urea CAS Name: 1-[3-[2-(4-methyl-1-piperazinyl)ethyl]-5-(trifluoromethyl)phenyl]-3-phenylurea IUPAC Name: 1-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)phenyl]-3-phenylurea Traditional Name: 1-[3-[2-(4-methylpiperazino)ethyl]-5-(trifluoromethyl)phenyl]-3-phenyl-urea Formula: C21H25F3N4O MolecularWeight: 406.44461

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2=CC(=CC(=C2)NC(=O)NC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)CCC2=CC(=CC(=C2)NC(=O)NC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O/c1-27-9-11-28(12-10-27)8-7-16-13-17(21(22,23)24)15-19(14-16)26-20(29)25-18-5-3-2-4-6-18/h2-6,13-15H,7-12H2,1H3,(H2,25,26,29)