1-(4-bromanyl-3-methyl-phenyl)-3-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CNC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CNC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C21H22BrN3O/c1-15-5-3-6-17(11-15)14-25-10-4-7-19(25)13-23-21(26)24-18-8-9-20(22)16(2)12-18/h3-12H,13-14H2,1-2H3,(H2,23,24,26)