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

Systemtic Name: 2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(isopropyl)amino]-N-[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]-N-[2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-[2-(2-chlorophenyl)-5-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(isopropyl)amino]-N-[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]acetamide Formula: C31H36ClN5O2 MolecularWeight: 546.10284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)N(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H36ClN5O2/c1-20(2)36(30(39)34-31-16-21-12-22(17-31)14-23(13-21)18-31)19-29(38)33-28-15-26(24-8-4-3-5-9-24)35-37(28)27-11-7-6-10-25(27)32/h3-11,15,20-23H,12-14,16-19H2,1-2H3,(H,33,38)(H,34,39)