1-methyl-3-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-(phenylmethyl)urea

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)N(C)CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)N(C)CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O/c1-26-10-12-28(13-11-26)17-8-9-19(18(14-17)21(22,23)24)25-20(29)27(2)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,25,29)