6-[3-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6-[3-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 6-[3-[1-(6-tert-butylpyridazin-3-yl)-4-piperidyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 6-[3-[1-(6-tert-butyl-3-pyridazinyl)-4-piperidinyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-[3-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 6-[3-[1-(6-tert-butylpyridazin-3-yl)-4-piperidyl]propoxy]-2-mesyl-3,4-dihydro-1H-isoquinoline Formula: C26H38N4O3S MolecularWeight: 486.66992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(C=C1)N2CCC(CC2)CCCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

Isomeric SMILES

CC(C)(C)C1=NN=C(C=C1)N2CCC(CC2)CCCOC3=CC4=C(CN(CC4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C26H38N4O3S/c1-26(2,3)24-9-10-25(28-27-24)29-14-11-20(12-15-29)6-5-17-33-23-8-7-22-19-30(34(4,31)32)16-13-21(22)18-23/h7-10,18,20H,5-6,11-17,19H2,1-4H3