1-adamantyl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone Openeye Name: 1-adamantyl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone CAS Name: 1-adamantyl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]methanone IUPAC Name: 1-adamantyl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methanone Traditional Name: 1-adamantyl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C23CC4CC(C2)CC(C4)C3)C)S(=O)(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CC1=C(C(=NN1C(=O)C23CC4CC(C2)CC(C4)C3)C)S(=O)(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C25H31N3O3S/c1-16-23(32(30,31)27-8-7-21-5-3-4-6-22(21)15-27)17(2)28(26-16)24(29)25-12-18-9-19(13-25)11-20(10-18)14-25/h3-6,18-20H,7-15H2,1-2H3