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

Systemtic Name: 2-[1-adamantylcarbamoyl(3-methylbutyl)amino]-N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(isopentyl)amino]-N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-(3-methylbutyl)amino]-N-[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(3-methylbutyl)amino]-N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(isoamyl)amino]-N-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]acetamide Formula: C32H47N5O2 MolecularWeight: 533.74788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C32H47N5O2/c1-21(2)10-11-36(30(39)34-32-17-23-13-24(18-32)15-25(14-23)19-32)20-29(38)33-28-16-27(31(4,5)6)35-37(28)26-9-7-8-22(3)12-26/h7-9,12,16,21,23-25H,10-11,13-15,17-20H2,1-6H3,(H,33,38)(H,34,39)