propan-2-yl 4-[[3-(3-bromanyl-1,2,4-triazol-1-yl)-1-adamantyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[3-(3-bromanyl-1,2,4-triazol-1-yl)-1-adamantyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C22H29BrN6O3 MolecularWeight: 505.40806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C22H29BrN6O3/c1-4-28-10-16(17(26-28)18(30)32-13(2)3)25-19(31)21-6-14-5-15(7-21)9-22(8-14,11-21)29-12-24-20(23)27-29/h10,12-15H,4-9,11H2,1-3H3,(H,25,31)