N-[(4-oxidanylidenequinazolin-3-yl)methyl]-2-piperidin-1-yl-ethanamide trihydrochloride

Systemtic Name: N-[(4-oxidanylidenequinazolin-3-yl)methyl]-2-piperidin-1-yl-ethanamide trihydrochloride Openeye Name: N-[(4-oxoquinazolin-3-yl)methyl]-2-(1-piperidyl)acetamide trihydrochloride CAS Name: N-[(4-oxo-3-quinazolinyl)methyl]-2-(1-piperidinyl)acetamide trihydrochloride IUPAC Name: N-[(4-oxoquinazolin-3-yl)methyl]-2-piperidin-1-ylacetamide trihydrochloride Traditional Name: N-[(4-ketoquinazolin-3-yl)methyl]-2-piperidino-acetamide trihydrochloride Formula: C16H23Cl3N4O2 MolecularWeight: 409.73842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)NCN2C=NC3=CC=CC=C3C2=O.Cl.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CC(=O)NCN2C=NC3=CC=CC=C3C2=O.Cl.Cl.Cl

InChI

InChI=1S/C16H20N4O2.3ClH/c21-15(10-19-8-4-1-5-9-19)18-12-20-11-17-14-7-3-2-6-13(14)16(20)22;;;/h2-3,6-7,11H,1,4-5,8-10,12H2,(H,18,21);3*1H