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

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-5-methyl-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]adamantane-1-carboxamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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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(=C(C=C6)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3S/c1-15-6-23(28-24(31)26-11-16-7-17(12-26)9-18(8-16)13-26)30(29-15)25-27-20(14-34-25)19-4-5-21(32-2)22(10-19)33-3/h4-6,10,14,16-18H,7-9,11-13H2,1-3H3,(H,28,31)