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

Systemtic Name: 1-butyl-3-(2-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-butyl-3-(o-tolyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-3-(2-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-butyl-3-(2-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-butyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-(o-tolyl)urea Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O/c1-4-5-16-28(25(29)26-24-15-9-7-12-21(24)3)19-23-14-10-17-27(23)18-22-13-8-6-11-20(22)2/h6-15,17H,4-5,16,18-19H2,1-3H3,(H,26,29)