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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H45N5O2/c1-20(2)18-35(29(38)33-31-15-22-11-23(16-31)13-24(12-22)17-31)19-28(37)32-27-14-26(30(4,5)6)34-36(27)25-10-8-7-9-21(25)3/h7-10,14,20,22-24H,11-13,15-19H2,1-6H3,(H,32,37)(H,33,38)