2-[1-adamantylcarbamoyl-(phenylmethyl)amino]-N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl-(phenylmethyl)amino]-N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(benzyl)amino]-N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-(phenylmethyl)amino]-N-[5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(benzyl)amino]-N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(benzyl)amino]-N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]acetamide Formula: C35H45N5O2 MolecularWeight: 567.7641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C35H45N5O2/c1-23-11-12-29(24(2)13-23)40-31(17-30(38-40)34(3,4)5)36-32(41)22-39(21-25-9-7-6-8-10-25)33(42)37-35-18-26-14-27(19-35)16-28(15-26)20-35/h6-13,17,26-28H,14-16,18-22H2,1-5H3,(H,36,41)(H,37,42)