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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C20H19BrFN3O MolecularWeight: 416.286763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NCC2=CC=CN2CC3=CC(=CC=C3)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NCC2=CC=CN2CC3=CC(=CC=C3)F)Br

InChI

InChI=1S/C20H19BrFN3O/c1-14-10-17(7-8-19(14)21)24-20(26)23-12-18-6-3-9-25(18)13-15-4-2-5-16(22)11-15/h2-11H,12-13H2,1H3,(H2,23,24,26)