1-[5-azanyl-1-[2,5-bis(fluoranyl)phenyl]-3-tert-butyl-pyrazol-4-yl]-3-phenethyl-urea

Systemtic Name: 1-[5-azanyl-1-[2,5-bis(fluoranyl)phenyl]-3-tert-butyl-pyrazol-4-yl]-3-phenethyl-urea Openeye Name: 1-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)pyrazol-4-yl]-3-phenethyl-urea CAS Name: 1-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)-4-pyrazolyl]-3-phenethylurea IUPAC Name: 1-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)pyrazol-4-yl]-3-phenethylurea Traditional Name: 1-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)pyrazol-4-yl]-3-phenethyl-urea Formula: C22H25F2N5O MolecularWeight: 413.463606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1NC(=O)NCCC2=CC=CC=C2)N)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1NC(=O)NCCC2=CC=CC=C2)N)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C22H25F2N5O/c1-22(2,3)19-18(27-21(30)26-12-11-14-7-5-4-6-8-14)20(25)29(28-19)17-13-15(23)9-10-16(17)24/h4-10,13H,11-12,25H2,1-3H3,(H2,26,27,30)