2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(isopropyl)amino]-N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]-N-[5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(isopropyl)amino]-N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]acetamide Formula: C29H40ClN5O2 MolecularWeight: 526.1132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C(C)(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)N(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C(C)(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H40ClN5O2/c1-18(2)34(27(37)32-29-14-19-10-20(15-29)12-21(11-19)16-29)17-26(36)31-25-13-24(28(3,4)5)33-35(25)23-8-6-22(30)7-9-23/h6-9,13,18-21H,10-12,14-17H2,1-5H3,(H,31,36)(H,32,37)