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

Systemtic Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H28N4O/c1-3-4-14-29(25(30)27-23-12-7-10-21(16-23)17-26)19-24-13-8-15-28(24)18-22-11-6-5-9-20(22)2/h5-13,15-16H,3-4,14,18-19H2,1-2H3,(H,27,30)