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

Systemtic Name: 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-ethyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C20H28FN3O MolecularWeight: 345.454223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28FN3O/c1-3-5-6-12-24(20(25)22-4-2)16-19-11-8-13-23(19)15-17-9-7-10-18(21)14-17/h7-11,13-14H,3-6,12,15-16H2,1-2H3,(H,22,25)