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

Systemtic Name: 2-[1-adamantylcarbamoyl-(phenylmethyl)amino]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(benzyl)amino]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-(phenylmethyl)amino]-N-(5-tert-butyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(benzyl)amino]-N-(5-tert-butyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[1-adamantylcarbamoyl(benzyl)amino]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C33H41N5O2 MolecularWeight: 539.71094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CC2=CC=CC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CC2=CC=CC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

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