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

Systemtic Name: 1-butyl-3-(3-ethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-butyl-3-(3-ethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-3-(3-ethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-butyl-3-(3-ethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-butyl-3-(3-ethylphenyl)-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C25H30FN3O MolecularWeight: 407.523603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN3O/c1-3-5-14-29(25(30)27-23-12-7-9-20(4-2)17-23)19-24-13-8-15-28(24)18-21-10-6-11-22(26)16-21/h6-13,15-17H,3-5,14,18-19H2,1-2H3,(H,27,30)