1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1,3-dicyclohexyl-urea

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1,3-dicyclohexyl-urea Openeye Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1,3-dicyclohexyl-urea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1,3-dicyclohexylurea IUPAC Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1,3-dicyclohexylurea Traditional Name: 1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-1,3-dicyclohexyl-urea Formula: C25H34ClN3O MolecularWeight: 428.00996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)NC(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C4CCCCC4

InChI

InChI=1S/C25H34ClN3O/c26-21-10-7-9-20(17-21)18-28-16-8-15-24(28)19-29(23-13-5-2-6-14-23)25(30)27-22-11-3-1-4-12-22/h7-10,15-17,22-23H,1-6,11-14,18-19H2,(H,27,30)