1-(1-adamantyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]urea CAS Name: 1-(1-adamantyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea Traditional Name: 1-(1-adamantyl)-3-[1-(2-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]urea Formula: C23H29FN4O MolecularWeight: 396.500963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2F)C)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2F)C)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29FN4O/c1-14-21(15(2)28(27-14)13-19-5-3-4-6-20(19)24)25-22(29)26-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-13H2,1-2H3,(H2,25,26,29)