1-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-3-(3-ethanoylphenyl)urea

Systemtic Name: 1-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-3-(3-ethanoylphenyl)urea Openeye Name: 1-(3-acetylphenyl)-3-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]urea CAS Name: 1-(3-acetylphenyl)-3-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]urea Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(=O)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(=O)C)C)Br

InChI

InChI=1S/C20H19BrN4O2/c1-12-19(21)13(2)25(24-12)18-9-7-16(8-10-18)22-20(27)23-17-6-4-5-15(11-17)14(3)26/h4-11H,1-3H3,(H2,22,23,27)