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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN3O/c1-5-11-24(19(25)22-20(2,3)4)15-18-10-7-12-23(18)14-16-8-6-9-17(21)13-16/h5-10,12-13H,1,11,14-15H2,2-4H3,(H,22,25)