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

Systemtic Name: 2-[1-adamantylcarbamoyl(propyl)amino]-N-[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(propyl)amino]-N-[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-propylamino]-N-[2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(propyl)amino]-N-[2-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(propyl)amino]-N-[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl]acetamide Formula: C31H36ClN5O2 MolecularWeight: 546.10284

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

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