7-piperazin-1-yl-2-(pyridin-3-ylmethyl)phthalazin-1-one

Systemtic Name: 7-piperazin-1-yl-2-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 7-piperazin-1-yl-2-(3-pyridylmethyl)phthalazin-1-one CAS Name: 7-(1-piperazinyl)-2-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 7-piperazin-1-yl-2-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 7-piperazino-2-(3-pyridylmethyl)phthalazin-1-one Formula: C18H19N5O MolecularWeight: 321.37636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC3=C(C=C2)C=NN(C3=O)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=CC3=C(C=C2)C=NN(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C18H19N5O/c24-18-17-10-16(22-8-6-19-7-9-22)4-3-15(17)12-21-23(18)13-14-2-1-5-20-11-14/h1-5,10-12,19H,6-9,13H2