4-(3-pyridin-3-ylpropyl)-2H-phthalazin-1-one

Systemtic Name: 4-(3-pyridin-3-ylpropyl)-2H-phthalazin-1-one Openeye Name: 4-[3-(3-pyridyl)propyl]-2H-phthalazin-1-one CAS Name: 4-[3-(3-pyridinyl)propyl]-2H-phthalazin-1-one IUPAC Name: 4-(3-pyridin-3-ylpropyl)-2H-phthalazin-1-one Traditional Name: 4-[3-(3-pyridyl)propyl]-2H-phthalazin-1-one Formula: C16H15N3O MolecularWeight: 265.3098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CCCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CCCC3=CN=CC=C3

InChI

InChI=1S/C16H15N3O/c20-16-14-8-2-1-7-13(14)15(18-19-16)9-3-5-12-6-4-10-17-11-12/h1-2,4,6-8,10-11H,3,5,9H2,(H,19,20)