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

Systemtic Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-butylamino]-N-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C31H45N5O2 MolecularWeight: 519.7213

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)C)C(C)(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)C)C(C)(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H45N5O2/c1-6-7-12-35(29(38)33-31-17-22-13-23(18-31)15-24(14-22)19-31)20-28(37)32-27-16-26(30(3,4)5)34-36(27)25-10-8-21(2)9-11-25/h8-11,16,22-24H,6-7,12-15,17-20H2,1-5H3,(H,32,37)(H,33,38)