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

Systemtic Name: 3-(4-bromophenyl)-1-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 3-(4-bromophenyl)-1-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 3-(4-bromophenyl)-1-butyl-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 3-(4-bromophenyl)-1-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 3-(4-bromophenyl)-1-butyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C23H25BrFN3O MolecularWeight: 458.366503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrFN3O/c1-2-3-13-28(23(29)26-21-11-9-19(24)10-12-21)17-22-8-5-14-27(22)16-18-6-4-7-20(25)15-18/h4-12,14-15H,2-3,13,16-17H2,1H3,(H,26,29)