N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Formula: C26H29BrN4OS MolecularWeight: 525.50366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)C)Br

InChI

InChI=1S/C26H29BrN4OS/c1-15-23(27)16(2)31(30-15)13-17-4-3-5-21(9-17)24(32)29-25-28-22(14-33-25)26-10-18-6-19(11-26)8-20(7-18)12-26/h3-5,9,14,18-20H,6-8,10-13H2,1-2H3,(H,28,29,32)