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

Systemtic Name: 3-(1-adamantyl)-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-urea Openeye Name: 3-(1-adamantyl)-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-urea CAS Name: 3-(1-adamantyl)-1-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-cyclohexylurea IUPAC Name: 3-(1-adamantyl)-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexylurea Traditional Name: 3-(1-adamantyl)-1-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-1-cyclohexyl-urea Formula: C29H38ClN3O MolecularWeight: 480.08452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H38ClN3O/c30-27-11-5-4-7-24(27)19-32-12-6-10-26(32)20-33(25-8-2-1-3-9-25)28(34)31-29-16-21-13-22(17-29)15-23(14-21)18-29/h4-7,10-12,21-23,25H,1-3,8-9,13-20H2,(H,31,34)