2-[1-adamantylcarbamoyl(butyl)amino]-N-[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-butylamino]-N-[5-methyl-2-(4-methylphenyl)-4-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[5-methyl-2-(4-methylphenyl)-4-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C34H43N5O2 MolecularWeight: 553.73752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H43N5O2/c1-4-5-15-38(33(41)36-34-19-25-16-26(20-34)18-27(17-25)21-34)22-30(40)35-32-31(28-9-7-6-8-10-28)24(3)37-39(32)29-13-11-23(2)12-14-29/h6-14,25-27H,4-5,15-22H2,1-3H3,(H,35,40)(H,36,41)