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

Systemtic Name: 2-[1-adamantylcarbamoyl(2-methylpropyl)amino]-N-[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(isobutyl)amino]-N-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-(2-methylpropyl)amino]-N-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(2-methylpropyl)amino]-N-[2-(4-methylphenyl)-5-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(isobutyl)amino]-N-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C33H41N5O2 MolecularWeight: 539.71094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)CN(CC(C)C)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)CN(CC(C)C)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H41N5O2/c1-22(2)20-37(32(40)35-33-17-24-13-25(18-33)15-26(14-24)19-33)21-31(39)34-30-16-29(27-7-5-4-6-8-27)36-38(30)28-11-9-23(3)10-12-28/h4-12,16,22,24-26H,13-15,17-21H2,1-3H3,(H,34,39)(H,35,40)