4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

Systemtic Name: 4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-[[4-(4-pyridyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-[(4-pyridin-4-yl-1-piperazinyl)methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-[[4-(4-pyridyl)piperazino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C18H23N5O MolecularWeight: 325.40812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NNC2=O)CN3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NNC2=O)CN3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C18H23N5O/c24-18-16-4-2-1-3-15(16)17(20-21-18)13-22-9-11-23(12-10-22)14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,21,24)