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

Systemtic Name: 3-tert-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-tert-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-tert-butyl-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-tert-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-tert-butyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C22H32FN3O MolecularWeight: 373.507383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32FN3O/c1-5-6-7-13-26(21(27)24-22(2,3)4)17-20-12-9-14-25(20)16-18-10-8-11-19(23)15-18/h8-12,14-15H,5-7,13,16-17H2,1-4H3,(H,24,27)