1-(4-bromophenyl)-3-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]urea

Systemtic Name: 1-(4-bromophenyl)-3-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]urea Openeye Name: 1-(4-bromophenyl)-3-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]urea CAS Name: 1-(4-bromophenyl)-3-[5-tert-butyl-2-(4-methoxyphenyl)-3-pyrazolyl]urea IUPAC Name: 1-(4-bromophenyl)-3-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]urea Traditional Name: 1-(4-bromophenyl)-3-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]urea Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23BrN4O2/c1-21(2,3)18-13-19(24-20(27)23-15-7-5-14(22)6-8-15)26(25-18)16-9-11-17(28-4)12-10-16/h5-13H,1-4H3,(H2,23,24,27)