4-(aminomethyl)-2-(2-pyridin-2-ylethyl)phthalazin-1-one

Systemtic Name: 4-(aminomethyl)-2-(2-pyridin-2-ylethyl)phthalazin-1-one Openeye Name: 4-(aminomethyl)-2-[2-(2-pyridyl)ethyl]phthalazin-1-one CAS Name: 4-(aminomethyl)-2-[2-(2-pyridinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(aminomethyl)-2-(2-pyridin-2-ylethyl)phthalazin-1-one Traditional Name: 4-(aminomethyl)-2-[2-(2-pyridyl)ethyl]phthalazin-1-one Formula: C16H16N4O MolecularWeight: 280.32444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN

InChI

InChI=1S/C16H16N4O/c17-11-15-13-6-1-2-7-14(13)16(21)20(19-15)10-8-12-5-3-4-9-18-12/h1-7,9H,8,10-11,17H2