N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-pentyl-adamantane-1-carboxamide

Systemtic Name: N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-pentyl-adamantane-1-carboxamide Openeye Name: N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-N-pentyl-adamantane-1-carboxamide CAS Name: N-[2-[[2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-N-pentyl-1-adamantanecarboxamide IUPAC Name: N-[2-[[2-(4-fluorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-N-pentyladamantane-1-carboxamide Traditional Name: N-amyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C33H39FN4O2 MolecularWeight: 542.686763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H39FN4O2/c1-2-3-7-14-37(32(40)33-19-23-15-24(20-33)17-25(16-23)21-33)22-31(39)35-30-18-29(26-8-5-4-6-9-26)36-38(30)28-12-10-27(34)11-13-28/h4-6,8-13,18,23-25H,2-3,7,14-17,19-22H2,1H3,(H,35,39)