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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methyl]urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]urea Formula: C21H21BrClN3O MolecularWeight: 446.76794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)CNC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)CNC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrClN3O/c1-13-10-18(6-9-20(13)22)25-21(27)24-12-16-11-14(2)26(15(16)3)19-7-4-17(23)5-8-19/h4-11H,12H2,1-3H3,(H2,24,25,27)