2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(isopropyl)amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]-N-[2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-[2-(4-fluorophenyl)-5-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(isopropyl)amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]acetamide Formula: C31H36FN5O2 MolecularWeight: 529.648243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)N(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H36FN5O2/c1-20(2)36(30(39)34-31-16-21-12-22(17-31)14-23(13-21)18-31)19-29(38)33-28-15-27(24-6-4-3-5-7-24)35-37(28)26-10-8-25(32)9-11-26/h3-11,15,20-23H,12-14,16-19H2,1-2H3,(H,33,38)(H,34,39)