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

Systemtic Name: 1-[5-tert-butyl-2-[3-(hydroxymethyl)phenyl]pyrazol-3-yl]-3-(4-chlorophenyl)urea Openeye Name: 1-[5-tert-butyl-2-[3-(hydroxymethyl)phenyl]pyrazol-3-yl]-3-(4-chlorophenyl)urea CAS Name: 1-[5-tert-butyl-2-[3-(hydroxymethyl)phenyl]-3-pyrazolyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[5-tert-butyl-2-[3-(hydroxymethyl)phenyl]pyrazol-3-yl]-3-(4-chlorophenyl)urea Traditional Name: 1-[5-tert-butyl-2-(3-methylolphenyl)pyrazol-3-yl]-3-(4-chlorophenyl)urea Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC(=C3)CO

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC(=C3)CO

InChI

InChI=1S/C21H23ClN4O2/c1-21(2,3)18-12-19(24-20(28)23-16-9-7-15(22)8-10-16)26(25-18)17-6-4-5-14(11-17)13-27/h4-12,27H,13H2,1-3H3,(H2,23,24,28)