2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]ethanamide

Systemtic Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]ethanamide Openeye Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-N-[[(1S)-isochroman-1-yl]methyl]acetamide CAS Name: 2-[[6-(4-cyclohexyl-1-piperazin-4-iumyl)-3-pyridazinyl]oxy]-N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]acetamide IUPAC Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]acetamide Traditional Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-N-[[(1S)-isochroman-1-yl]methyl]acetamide Formula: C26H36N5O3+ MolecularWeight: 466.59574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=NN=C(C=C3)OCC(=O)NCC4C5=CC=CC=C5CCO4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=NN=C(C=C3)OCC(=O)NC[C@@H]4C5=CC=CC=C5CCO4

InChI

InChI=1S/C26H35N5O3/c32-25(27-18-23-22-9-5-4-6-20(22)12-17-33-23)19-34-26-11-10-24(28-29-26)31-15-13-30(14-16-31)21-7-2-1-3-8-21/h4-6,9-11,21,23H,1-3,7-8,12-19H2,(H,27,32)/p+1/t23-/m1/s1