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

Systemtic Name: 3-(3-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(m-tolyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(3-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(3-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-(m-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(=C3)C

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=CC(=C3)C

InChI

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