1-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(3-ethanoylphenyl)urea

Systemtic Name: 1-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(3-ethanoylphenyl)urea Openeye Name: 1-(3-acetylphenyl)-3-[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]urea CAS Name: 1-(3-acetylphenyl)-3-[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]urea Traditional Name: 1-(3-acetylphenyl)-3-[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]urea Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)NC3=CC=CC(=C3)C(=O)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)NC3=CC=CC(=C3)C(=O)C)Br

InChI

InChI=1S/C20H19BrN4O2/c1-13-5-3-6-15(9-13)11-25-12-18(21)19(24-25)23-20(27)22-17-8-4-7-16(10-17)14(2)26/h3-10,12H,11H2,1-2H3,(H2,22,23,24,27)