1-(2-tert-butylquinolin-4-yl)-3-(1-phenethylpiperidin-4-yl)propan-1-one dihydrochloride

Systemtic Name: 1-(2-tert-butylquinolin-4-yl)-3-(1-phenethylpiperidin-4-yl)propan-1-one dihydrochloride Openeye Name: 1-(2-tert-butyl-4-quinolyl)-3-(1-phenethyl-4-piperidyl)propan-1-one dihydrochloride CAS Name: 1-(2-tert-butyl-4-quinolinyl)-3-(1-phenethyl-4-piperidinyl)-1-propanone dihydrochloride IUPAC Name: 1-(2-tert-butylquinolin-4-yl)-3-(1-phenethylpiperidin-4-yl)propan-1-one dihydrochloride Traditional Name: 1-(2-tert-butyl-4-quinolyl)-3-(1-phenethyl-4-piperidyl)propan-1-one dihydrochloride Formula: C29H38Cl2N2O MolecularWeight: 501.53082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC=CC=C2C(=C1)C(=O)CCC3CCN(CC3)CCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC=CC=C2C(=C1)C(=O)CCC3CCN(CC3)CCC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C29H36N2O.2ClH/c1-29(2,3)28-21-25(24-11-7-8-12-26(24)30-28)27(32)14-13-23-16-19-31(20-17-23)18-15-22-9-5-4-6-10-22;;/h4-12,21,23H,13-20H2,1-3H3;2*1H