3-(4-bromophenyl)-1-butyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 3-(4-bromophenyl)-1-butyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 3-(4-bromophenyl)-1-butyl-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 3-(4-bromophenyl)-1-butyl-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 3-(4-bromophenyl)-1-butyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 3-(4-bromophenyl)-1-butyl-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C24H28BrN3O MolecularWeight: 454.40262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H28BrN3O/c1-3-4-14-28(24(29)26-22-12-10-21(25)11-13-22)18-23-9-6-15-27(23)17-20-8-5-7-19(2)16-20/h5-13,15-16H,3-4,14,17-18H2,1-2H3,(H,26,29)