1,3-dibutyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 1,3-dibutyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1,3-dibutyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 1,3-dibutyl-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1,3-dibutyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1,3-dibutyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C21H30FN3O MolecularWeight: 359.480803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CCCC)CC1=CC=CN1CC2=CC(=CC=C2)F

Isomeric SMILES

CCCCNC(=O)N(CCCC)CC1=CC=CN1CC2=CC(=CC=C2)F

InChI

InChI=1S/C21H30FN3O/c1-3-5-12-23-21(26)25(13-6-4-2)17-20-11-8-14-24(20)16-18-9-7-10-19(22)15-18/h7-11,14-15H,3-6,12-13,16-17H2,1-2H3,(H,23,26)