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

Systemtic Name: 3-(2-methylphenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-(o-tolyl)-1-pentyl-urea CAS Name: 3-(2-methylphenyl)-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(2-methylphenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-1-[[1-(3-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(=C2)C)C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=CC=C3C

InChI

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