3-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxypropane-1,2-diol

Systemtic Name: 3-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxypropane-1,2-diol Openeye Name: 3-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxypropane-1,2-diol CAS Name: 3-[[4-(cyclohexylmethylamino)-1-ethyl-6-pyrazolo[3,4-b]quinolinyl]oxy]propane-1,2-diol IUPAC Name: 3-[4-(cyclohexylmethylamino)-1-ethylpyrazolo[3,4-b]quinolin-6-yl]oxypropane-1,2-diol Traditional Name: 3-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxypropane-1,2-diol Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC3=C(C=C(C=C3)OCC(CO)O)C(=C2C=N1)NCC4CCCCC4

Isomeric SMILES

CCN1C2=NC3=C(C=C(C=C3)OCC(CO)O)C(=C2C=N1)NCC4CCCCC4

InChI

InChI=1S/C22H30N4O3/c1-2-26-22-19(12-24-26)21(23-11-15-6-4-3-5-7-15)18-10-17(8-9-20(18)25-22)29-14-16(28)13-27/h8-10,12,15-16,27-28H,2-7,11,13-14H2,1H3,(H,23,25)