[4-[(3-bromanyl-1-adamantyl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(3-bromanyl-1-adamantyl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(3-bromoadamantane-1-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[(3-bromo-1-adamantyl)-oxomethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(3-bromoadamantane-1-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(3-bromoadamantane-1-carbonyl)amino]pyrazol-1-yl]methyl ester Formula: C20H28BrN3O3 MolecularWeight: 438.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H28BrN3O3/c1-18(2,3)17(26)27-12-24-10-15(9-22-24)23-16(25)19-5-13-4-14(6-19)8-20(21,7-13)11-19/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,23,25)