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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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