1-(5-tert-butyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-chlorophenyl)urea

Systemtic Name: 1-(5-tert-butyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-chlorophenyl)urea Openeye Name: 1-(5-tert-butyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-chlorophenyl)urea CAS Name: 1-(5-tert-butyl-1-methyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-chlorophenyl)urea IUPAC Name: 1-(5-tert-butyl-1-methyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-chlorophenyl)urea Traditional Name: 1-(5-tert-butyl-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)-3-(4-chlorophenyl)urea Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4O2/c1-21(2,3)18-17(24-20(28)23-15-12-10-14(22)11-13-15)19(27)26(25(18)4)16-8-6-5-7-9-16/h5-13H,1-4H3,(H2,23,24,28)