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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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