N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(3-methoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-[4-(3-methoxyphenyl)-2-thiazolyl]-5-methyl-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(3-methoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC(=CS5)C6=CC(=CC=C6)OC

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC(=CS5)C6=CC(=CC=C6)OC

InChI

InChI=1S/C25H28N4O2S/c1-15-6-22(27-23(30)25-11-16-7-17(12-25)9-18(8-16)13-25)29(28-15)24-26-21(14-32-24)19-4-3-5-20(10-19)31-2/h3-6,10,14,16-18H,7-9,11-13H2,1-2H3,(H,27,30)