1-butyl-3-(2,6-dimethylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 1-butyl-3-(2,6-dimethylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-butyl-3-(2,6-dimethylphenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-3-(2,6-dimethylphenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-butyl-3-(2,6-dimethylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-butyl-3-(2,6-dimethylphenyl)-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C26H33N3O MolecularWeight: 403.55972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C26H33N3O/c1-5-6-16-29(26(30)27-25-21(3)12-9-13-22(25)4)19-24-15-10-17-28(24)18-23-14-8-7-11-20(23)2/h7-15,17H,5-6,16,18-19H2,1-4H3,(H,27,30)