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

Systemtic Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-(3-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(=C2)C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

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

InChI

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