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

Systemtic Name: 3-tert-butyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-tert-butyl-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-tert-butyl-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-tert-butyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-tert-butyl-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C23H35N3O MolecularWeight: 369.5435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O/c1-6-7-8-14-26(22(27)24-23(3,4)5)18-21-13-10-15-25(21)17-20-12-9-11-19(2)16-20/h9-13,15-16H,6-8,14,17-18H2,1-5H3,(H,24,27)