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

Systemtic Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-butyl-3-(3-cyanophenyl)-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C24H25FN4O MolecularWeight: 404.479903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN4O/c1-2-3-12-29(24(30)27-22-10-5-7-19(15-22)16-26)18-23-11-6-13-28(23)17-20-8-4-9-21(25)14-20/h4-11,13-15H,2-3,12,17-18H2,1H3,(H,27,30)