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

Systemtic Name: 2-[1-adamantylcarbamoyl-(phenylmethyl)amino]-N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(benzyl)amino]-N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-(phenylmethyl)amino]-N-[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(benzyl)amino]-N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(benzyl)amino]-N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]acetamide Formula: C34H43N5O2 MolecularWeight: 553.73752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H43N5O2/c1-23-10-8-9-13-28(23)39-30(17-29(37-39)33(2,3)4)35-31(40)22-38(21-24-11-6-5-7-12-24)32(41)36-34-18-25-14-26(19-34)16-27(15-25)20-34/h5-13,17,25-27H,14-16,18-22H2,1-4H3,(H,35,40)(H,36,41)