1-(4-bromanyl-2-fluoranyl-phenyl)-3-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methyl]urea

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-3-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methyl]urea Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-3-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyl]urea CAS Name: 1-(4-bromo-2-fluorophenyl)-3-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methyl]urea IUPAC Name: 1-(4-bromo-2-fluorophenyl)-3-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methyl]urea Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-3-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyl]urea Formula: C21H21BrFN3O MolecularWeight: 430.313343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)CNC(=O)NC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)CNC(=O)NC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C21H21BrFN3O/c1-13-4-7-18(8-5-13)26-14(2)10-16(15(26)3)12-24-21(27)25-20-9-6-17(22)11-19(20)23/h4-11H,12H2,1-3H3,(H2,24,25,27)