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

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(3-chloranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(3-chlorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide Formula: C24H30ClN3O2 MolecularWeight: 427.9669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O2/c1-2-22(24-12-16-8-17(13-24)10-18(9-16)14-24)26-23(29)21-6-7-28(27-21)15-30-20-5-3-4-19(25)11-20/h3-7,11,16-18,22H,2,8-10,12-15H2,1H3,(H,26,29)