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

Systemtic Name: 3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-(3-cyanophenyl)-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C25H27FN4O MolecularWeight: 418.506483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN4O/c1-2-3-4-13-30(25(31)28-23-11-6-8-20(16-23)17-27)19-24-12-7-14-29(24)18-21-9-5-10-22(26)15-21/h5-12,14-16H,2-4,13,18-19H2,1H3,(H,28,31)