1-[1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrrol-3-yl]-3-[4-(trifluoromethyloxy)phenyl]urea

Systemtic Name: 1-[1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrrol-3-yl]-3-[4-(trifluoromethyloxy)phenyl]urea Openeye Name: 1-[1-methyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]pyrrol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea CAS Name: 1-[1-methyl-5-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-pyrrolyl]-3-[4-(trifluoromethoxy)phenyl]urea IUPAC Name: 1-[1-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea Traditional Name: 1-[1-methyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]pyrrol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea Formula: C23H23F3N6O3 MolecularWeight: 488.46233

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCN(CC2)C3=CC=CC=N3)NC(=O)NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCN(CC2)C3=CC=CC=N3)NC(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C23H23F3N6O3/c1-30-15-17(29-22(34)28-16-5-7-18(8-6-16)35-23(24,25)26)14-19(30)21(33)32-12-10-31(11-13-32)20-4-2-3-9-27-20/h2-9,14-15H,10-13H2,1H3,(H2,28,29,34)