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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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