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

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(4-bromanylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(4-bromophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide Formula: C24H30BrN3O2 MolecularWeight: 472.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)Br

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)Br

InChI

InChI=1S/C24H30BrN3O2/c1-2-22(24-12-16-9-17(13-24)11-18(10-16)14-24)26-23(29)21-7-8-28(27-21)15-30-20-5-3-19(25)4-6-20/h3-8,16-18,22H,2,9-15H2,1H3,(H,26,29)