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

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(3-ethylphenyl)urea Openeye Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(3-ethylphenyl)urea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-cyclohexyl-3-(3-ethylphenyl)urea IUPAC Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(3-ethylphenyl)urea Traditional Name: 1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-1-cyclohexyl-3-(3-ethylphenyl)urea Formula: C27H32ClN3O MolecularWeight: 450.01548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C4CCCCC4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C4CCCCC4

InChI

InChI=1S/C27H32ClN3O/c1-2-21-9-7-12-24(18-21)29-27(32)31(25-13-4-3-5-14-25)20-26-15-8-16-30(26)19-22-10-6-11-23(28)17-22/h6-12,15-18,25H,2-5,13-14,19-20H2,1H3,(H,29,32)