1-butyl-3-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbonylamino]urea

Systemtic Name: 1-butyl-3-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbonylamino]urea Openeye Name: 1-butyl-3-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbonyl]amino]urea CAS Name: 1-butyl-3-[[[5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolyl]-oxomethyl]amino]urea IUPAC Name: 1-butyl-3-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbonyl]amino]urea Traditional Name: 1-butyl-3-[[5-tert-butyl-2-(4-fluorobenzyl)pyrazole-3-carbonyl]amino]urea Formula: C20H28FN5O2 MolecularWeight: 389.467023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NNC(=O)C1=CC(=NN1CC2=CC=C(C=C2)F)C(C)(C)C

Isomeric SMILES

CCCCNC(=O)NNC(=O)C1=CC(=NN1CC2=CC=C(C=C2)F)C(C)(C)C

InChI

InChI=1S/C20H28FN5O2/c1-5-6-11-22-19(28)24-23-18(27)16-12-17(20(2,3)4)25-26(16)13-14-7-9-15(21)10-8-14/h7-10,12H,5-6,11,13H2,1-4H3,(H,23,27)(H2,22,24,28)