N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C24H26N4O2S MolecularWeight: 434.55384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=NN(C=C5)COC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=NN(C=C5)COC6=CC=CC=C6

InChI

InChI=1S/C24H26N4O2S/c29-22(20-6-7-28(27-20)15-30-19-4-2-1-3-5-19)26-23-25-21(14-31-23)24-11-16-8-17(12-24)10-18(9-16)13-24/h1-7,14,16-18H,8-13,15H2,(H,25,26,29)