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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC(C)(C)C

InChI

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