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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)C4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)C4CCCCC4)C

InChI

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