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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methyl]urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]urea Formula: C22H24BrN3O2 MolecularWeight: 442.34886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O2/c1-14-11-18(5-10-21(14)23)25-22(27)24-13-17-12-15(2)26(16(17)3)19-6-8-20(28-4)9-7-19/h5-12H,13H2,1-4H3,(H2,24,25,27)