3-(4-ethoxyphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea

Systemtic Name: 3-(4-ethoxyphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(4-ethoxyphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(4-ethoxyphenyl)-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(4-ethoxyphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3-p-phenetyl-urea Formula: C26H32FN3O2 MolecularWeight: 437.549583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C26H32FN3O2/c1-3-5-6-16-30(26(31)28-23-12-14-25(15-13-23)32-4-2)20-24-11-8-17-29(24)19-21-9-7-10-22(27)18-21/h7-15,17-18H,3-6,16,19-20H2,1-2H3,(H,28,31)