1-butyl-3-tert-butyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 1-butyl-3-tert-butyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-butyl-3-tert-butyl-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-3-tert-butyl-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-butyl-3-tert-butyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-butyl-3-tert-butyl-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C22H33N3O MolecularWeight: 355.51692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H33N3O/c1-6-7-13-25(21(26)23-22(3,4)5)17-20-12-9-14-24(20)16-19-11-8-10-18(2)15-19/h8-12,14-15H,6-7,13,16-17H2,1-5H3,(H,23,26)