3-(1-adamantyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxidanylidenechromen-3-yl)methyl]urea

Systemtic Name: 3-(1-adamantyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxidanylidenechromen-3-yl)methyl]urea Openeye Name: 3-(1-adamantyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxochromen-3-yl)methyl]urea CAS Name: 3-(1-adamantyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxo-1-benzopyran-3-yl)methyl]urea IUPAC Name: 3-(1-adamantyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxochromen-3-yl)methyl]urea Traditional Name: 3-(1-adamantyl)-1-(4-fluorobenzyl)-1-[(4-ketochromen-3-yl)methyl]urea Formula: C28H29FN2O3 MolecularWeight: 460.539863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)N(CC4=CC=C(C=C4)F)CC5=COC6=CC=CC=C6C5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)N(CC4=CC=C(C=C4)F)CC5=COC6=CC=CC=C6C5=O

InChI

InChI=1S/C28H29FN2O3/c29-23-7-5-18(6-8-23)15-31(16-22-17-34-25-4-2-1-3-24(25)26(22)32)27(33)30-28-12-19-9-20(13-28)11-21(10-19)14-28/h1-8,17,19-21H,9-16H2,(H,30,33)