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

Systemtic Name: 3-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 3-butyl-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-1-prop-2-enylurea IUPAC Name: 3-butyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enylurea Traditional Name: 1-allyl-3-butyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C20H26FN3O MolecularWeight: 343.438343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC=C)CC1=CC=CN1CC2=CC(=CC=C2)F

Isomeric SMILES

CCCCNC(=O)N(CC=C)CC1=CC=CN1CC2=CC(=CC=C2)F

InChI

InChI=1S/C20H26FN3O/c1-3-5-11-22-20(25)24(12-4-2)16-19-10-7-13-23(19)15-17-8-6-9-18(21)14-17/h4,6-10,13-14H,2-3,5,11-12,15-16H2,1H3,(H,22,25)