1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-ethanoylphenyl)urea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-ethanoylphenyl)urea Openeye Name: 1-(3-acetylphenyl)-3-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea CAS Name: 1-(3-acetylphenyl)-3-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea Traditional Name: 1-(3-acetylphenyl)-3-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]urea Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H21BrN4O2/c1-13-20(14(2)26(25-13)12-16-7-9-18(22)10-8-16)24-21(28)23-19-6-4-5-17(11-19)15(3)27/h4-11H,12H2,1-3H3,(H2,23,24,28)