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

Systemtic Name: 3-butyl-1-prop-2-enyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-allyl-3-butyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea CAS Name: 3-butyl-1-prop-2-enyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 3-butyl-1-prop-2-enyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-allyl-3-butyl-1-[[1-[3-(trifluoromethyl)benzyl]pyrrol-2-yl]methyl]urea Formula: C21H26F3N3O MolecularWeight: 393.44585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26F3N3O/c1-3-5-11-25-20(28)27(12-4-2)16-19-10-7-13-26(19)15-17-8-6-9-18(14-17)21(22,23)24/h4,6-10,13-14H,2-3,5,11-12,15-16H2,1H3,(H,25,28)