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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN3O/c1-4-5-11-23-21(26)25(14-17(2)3)16-20-10-7-12-24(20)15-18-8-6-9-19(22)13-18/h6-10,12-13,17H,4-5,11,14-16H2,1-3H3,(H,23,26)