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

Systemtic Name: 3-tert-butyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-tert-butyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea CAS Name: 3-tert-butyl-1-[[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-tert-butyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-benzyl-3-tert-butyl-1-[[1-(4-fluorobenzyl)pyrrol-2-yl]methyl]urea Formula: C24H28FN3O MolecularWeight: 393.497023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2CC3=CC=C(C=C3)F

InChI

InChI=1S/C24H28FN3O/c1-24(2,3)26-23(29)28(17-19-8-5-4-6-9-19)18-22-10-7-15-27(22)16-20-11-13-21(25)14-12-20/h4-15H,16-18H2,1-3H3,(H,26,29)