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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=CC(=C3)C

InChI

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