4-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

Systemtic Name: 4-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-[3-[4-(4-pyridyl)-1-piperidyl]propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-[3-(4-pyridin-4-yl-1-piperidinyl)propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-[3-[4-(4-pyridyl)piperidino]propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C21H28N4O MolecularWeight: 352.47322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NNC2=O)CCCN3CCC(CC3)C4=CC=NC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NNC2=O)CCCN3CCC(CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H28N4O/c26-21-19-5-2-1-4-18(19)20(23-24-21)6-3-13-25-14-9-17(10-15-25)16-7-11-22-12-8-16/h7-8,11-12,17H,1-6,9-10,13-15H2,(H,24,26)