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

Systemtic Name: 3-(2-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(o-tolyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(2-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(2-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-(o-tolyl)urea Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O/c1-4-5-10-17-29(26(30)27-25-16-9-7-13-22(25)3)20-24-15-11-18-28(24)19-23-14-8-6-12-21(23)2/h6-9,11-16,18H,4-5,10,17,19-20H2,1-3H3,(H,27,30)