3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole; sulfuric acid

Systemtic Name: 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole; sulfuric acid Openeye Name: 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]-1,2-benzoxazole; sulfuric acid CAS Name: 3-ethoxy-6-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-1,2-benzoxazole; sulfuric acid IUPAC Name: 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole; sulfuric acid Traditional Name: 3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]indoxazene; sulfuric acid Formula: C21H28N4O7S MolecularWeight: 480.53462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NOC2=C1C=CC(=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C.OS(=O)(=O)O

Isomeric SMILES

CCOC1=NOC2=C1C=CC(=C2)OCCC3CCN(CC3)C4=NN=C(C=C4)C.OS(=O)(=O)O

InChI

InChI=1S/C21H26N4O3.H2O4S/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20;1-5(2,3)4/h4-7,14,16H,3,8-13H2,1-2H3;(H2,1,2,3,4)