1-butyl-3-(4-ethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 1-butyl-3-(4-ethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-butyl-3-(4-ethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 1-butyl-3-(4-ethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-butyl-3-(4-ethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-butyl-3-(4-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=C(C=C3)CC

Isomeric SMILES

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

InChI

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