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

Systemtic Name: 1-(5-azanyl-1-tert-butyl-3-phenyl-pyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea Openeye Name: 1-(5-amino-1-tert-butyl-3-phenyl-pyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea CAS Name: 1-(5-amino-1-tert-butyl-3-phenyl-4-pyrazolyl)-3-[(4-fluorophenyl)methyl]urea IUPAC Name: 1-(5-amino-1-tert-butyl-3-phenylpyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea Traditional Name: 1-(5-amino-1-tert-butyl-3-phenyl-pyrazol-4-yl)-3-(4-fluorobenzyl)urea Formula: C21H24FN5O MolecularWeight: 381.446563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=CC=C2)NC(=O)NCC3=CC=C(C=C3)F)N

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=CC=C2)NC(=O)NCC3=CC=C(C=C3)F)N

InChI

InChI=1S/C21H24FN5O/c1-21(2,3)27-19(23)18(17(26-27)15-7-5-4-6-8-15)25-20(28)24-13-14-9-11-16(22)12-10-14/h4-12H,13,23H2,1-3H3,(H2,24,25,28)