3-(3-ethylpiperidin-4-yl)-1-(6-octan-2-yloxyquinolin-4-yl)propan-1-one hydrochloride

Systemtic Name: 3-(3-ethylpiperidin-4-yl)-1-(6-octan-2-yloxyquinolin-4-yl)propan-1-one hydrochloride Openeye Name: 3-(3-ethyl-4-piperidyl)-1-[6-(1-methylheptoxy)-4-quinolyl]propan-1-one hydrochloride CAS Name: 3-(3-ethyl-4-piperidinyl)-1-(6-octan-2-yloxy-4-quinolinyl)-1-propanone hydrochloride IUPAC Name: 3-(3-ethylpiperidin-4-yl)-1-(6-octan-2-yloxyquinolin-4-yl)propan-1-one hydrochloride Traditional Name: 3-(3-ethyl-4-piperidyl)-1-[6-(1-methylheptoxy)-4-quinolyl]propan-1-one hydrochloride Formula: C27H41ClN2O2 MolecularWeight: 461.07964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCNCC3CC.Cl

Isomeric SMILES

CCCCCCC(C)OC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCNCC3CC.Cl

InChI

InChI=1S/C27H40N2O2.ClH/c1-4-6-7-8-9-20(3)31-23-11-12-26-25(18-23)24(15-17-29-26)27(30)13-10-22-14-16-28-19-21(22)5-2;/h11-12,15,17-18,20-22,28H,4-10,13-14,16,19H2,1-3H3;1H