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

Systemtic Name: 1-(2-bromophenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]urea Openeye Name: 1-(2-bromophenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]urea CAS Name: 1-(2-bromophenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea Traditional Name: 1-(2-bromophenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]urea Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)CNC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)CNC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H22BrN3O2/c1-14-12-16(13-23-21(26)24-20-7-5-4-6-19(20)22)15(2)25(14)17-8-10-18(27-3)11-9-17/h4-12H,13H2,1-3H3,(H2,23,24,26)