2-octyl-4-pyridin-3-yl-phthalazin-1-one

Systemtic Name: 2-octyl-4-pyridin-3-yl-phthalazin-1-one Openeye Name: 2-octyl-4-(3-pyridyl)phthalazin-1-one CAS Name: 2-octyl-4-(3-pyridinyl)-1-phthalazinone IUPAC Name: 2-octyl-4-pyridin-3-ylphthalazin-1-one Traditional Name: 2-octyl-4-(3-pyridyl)phthalazin-1-one Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C3=CN=CC=C3

InChI

InChI=1S/C21H25N3O/c1-2-3-4-5-6-9-15-24-21(25)19-13-8-7-12-18(19)20(23-24)17-11-10-14-22-16-17/h7-8,10-14,16H,2-6,9,15H2,1H3