1-[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-3-(4-tert-butylphenyl)urea

Systemtic Name: 1-[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-3-(4-tert-butylphenyl)urea Openeye Name: 1-[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-(4-tert-butylphenyl)urea CAS Name: 1-[3-(4-bromo-1-methyl-3-pyrazolyl)phenyl]-3-(4-tert-butylphenyl)urea IUPAC Name: 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-(4-tert-butylphenyl)urea Traditional Name: 1-[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-(4-tert-butylphenyl)urea Formula: C21H23BrN4O MolecularWeight: 427.33752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C3=NN(C=C3Br)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C3=NN(C=C3Br)C

InChI

InChI=1S/C21H23BrN4O/c1-21(2,3)15-8-10-16(11-9-15)23-20(27)24-17-7-5-6-14(12-17)19-18(22)13-26(4)25-19/h5-13H,1-4H3,(H2,23,24,27)