N-[1-(1-adamantyl)propyl]-1-[(4-bromanylpyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(4-bromanylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(4-bromo-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C21H28BrN5O MolecularWeight: 446.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)CN5C=C(C=N5)Br

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)CN5C=C(C=N5)Br

InChI

InChI=1S/C21H28BrN5O/c1-2-19(21-8-14-5-15(9-21)7-16(6-14)10-21)24-20(28)18-3-4-26(25-18)13-27-12-17(22)11-23-27/h3-4,11-12,14-16,19H,2,5-10,13H2,1H3,(H,24,28)