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

Systemtic Name: 1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)-1-pentyl-urea Openeye Name: 1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(o-tolyl)-1-pentyl-urea CAS Name: 1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-3-(2-methylphenyl)-1-pentylurea IUPAC Name: 1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)-1-pentylurea Traditional Name: 1-amyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3-(o-tolyl)urea Formula: C25H30FN3O MolecularWeight: 407.523603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)F)C(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C25H30FN3O/c1-3-4-7-15-29(25(30)27-24-14-6-5-10-20(24)2)19-23-13-9-16-28(23)18-21-11-8-12-22(26)17-21/h5-6,8-14,16-17H,3-4,7,15,18-19H2,1-2H3,(H,27,30)