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

Systemtic Name: 1-[5-tert-butyl-2-(3-chloranyl-4-methyl-phenyl)pyrazol-3-yl]-3-(4-chlorophenyl)urea Openeye Name: 1-[5-tert-butyl-2-(3-chloro-4-methyl-phenyl)pyrazol-3-yl]-3-(4-chlorophenyl)urea CAS Name: 1-[5-tert-butyl-2-(3-chloro-4-methylphenyl)-3-pyrazolyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[5-tert-butyl-2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-3-(4-chlorophenyl)urea Traditional Name: 1-[5-tert-butyl-2-(3-chloro-4-methyl-phenyl)pyrazol-3-yl]-3-(4-chlorophenyl)urea Formula: C21H22Cl2N4O MolecularWeight: 417.33158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O/c1-13-5-10-16(11-17(13)23)27-19(12-18(26-27)21(2,3)4)25-20(28)24-15-8-6-14(22)7-9-15/h5-12H,1-4H3,(H2,24,25,28)