1-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(2-ethylphenyl)urea

Systemtic Name: 1-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(2-ethylphenyl)urea Openeye Name: 1-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(2-ethylphenyl)urea CAS Name: 1-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-1-cyclohexyl-3-(2-ethylphenyl)urea IUPAC Name: 1-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(2-ethylphenyl)urea Traditional Name: 1-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-1-cyclohexyl-3-(2-ethylphenyl)urea Formula: C27H32BrN3O MolecularWeight: 494.46648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)C4CCCCC4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)C4CCCCC4

InChI

InChI=1S/C27H32BrN3O/c1-2-22-9-6-7-13-26(22)29-27(32)31(24-10-4-3-5-11-24)20-25-12-8-18-30(25)19-21-14-16-23(28)17-15-21/h6-9,12-18,24H,2-5,10-11,19-20H2,1H3,(H,29,32)