1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylphenyl)-1-pentyl-urea

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylphenyl)-1-pentyl-urea Openeye Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-3-(p-tolyl)urea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-(4-methylphenyl)-1-pentylurea IUPAC Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylphenyl)-1-pentylurea Traditional Name: 1-amyl-1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-3-(p-tolyl)urea Formula: C25H30ClN3O MolecularWeight: 423.9782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O/c1-3-4-5-15-29(25(30)27-23-13-11-20(2)12-14-23)19-24-10-7-16-28(24)18-21-8-6-9-22(26)17-21/h6-14,16-17H,3-5,15,18-19H2,1-2H3,(H,27,30)