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

Systemtic Name: 1-(2-bromophenyl)-3-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methyl]urea Openeye Name: 1-(2-bromophenyl)-3-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyl]urea CAS Name: 1-(2-bromophenyl)-3-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methyl]urea Traditional Name: 1-(2-bromophenyl)-3-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyl]urea Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)CNC(=O)NC3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)CNC(=O)NC3=CC=CC=C3Br)C

InChI

InChI=1S/C21H22BrN3O/c1-14-8-10-18(11-9-14)25-15(2)12-17(16(25)3)13-23-21(26)24-20-7-5-4-6-19(20)22/h4-12H,13H2,1-3H3,(H2,23,24,26)