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

Systemtic Name: 1-(1-adamantyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea CAS Name: 1-(1-adamantyl)-3-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea Traditional Name: 1-(1-adamantyl)-3-[1-(4-fluorobenzyl)pyrazol-4-yl]urea Formula: C21H25FN4O MolecularWeight: 368.447803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CN(N=C4)CC5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CN(N=C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C21H25FN4O/c22-18-3-1-14(2-4-18)12-26-13-19(11-23-26)24-20(27)25-21-8-15-5-16(9-21)7-17(6-15)10-21/h1-4,11,13,15-17H,5-10,12H2,(H2,24,25,27)