N-[1-(1-adamantyl)propyl]-2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-(4-bromanyl-5-methyl-pyrazol-1-yl)propanamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-(4-bromo-5-methyl-pyrazol-1-yl)propanamide CAS Name: N-[1-(1-adamantyl)propyl]-2-(4-bromo-5-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-(4-bromo-5-methylpyrazol-1-yl)propanamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-(4-bromo-5-methyl-pyrazol-1-yl)propionamide Formula: C20H30BrN3O MolecularWeight: 408.3757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C(C)N4C(=C(C=N4)Br)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C(C)N4C(=C(C=N4)Br)C

InChI

InChI=1S/C20H30BrN3O/c1-4-18(20-8-14-5-15(9-20)7-16(6-14)10-20)23-19(25)13(3)24-12(2)17(21)11-22-24/h11,13-16,18H,4-10H2,1-3H3,(H,23,25)