1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-cyanophenyl)-1-cyclohexyl-urea

Systemtic Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-cyanophenyl)-1-cyclohexyl-urea Openeye Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-cyanophenyl)-1-cyclohexyl-urea CAS Name: 1-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-(3-cyanophenyl)-1-cyclohexylurea IUPAC Name: 1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-cyanophenyl)-1-cyclohexylurea Traditional Name: 1-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-3-(3-cyanophenyl)-1-cyclohexyl-urea Formula: C26H27ClN4O MolecularWeight: 446.97178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H27ClN4O/c27-25-14-5-4-9-21(25)18-30-15-7-13-24(30)19-31(23-11-2-1-3-12-23)26(32)29-22-10-6-8-20(16-22)17-28/h4-10,13-16,23H,1-3,11-12,18-19H2,(H,29,32)