4-pyridin-3-yl-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]phthalazin-1-one

Systemtic Name: 4-pyridin-3-yl-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]phthalazin-1-one Openeye Name: 4-(3-pyridyl)-2-[2-(tetrazol-1-yl)ethyl]phthalazin-1-one CAS Name: 4-(3-pyridinyl)-2-[2-(1-tetrazolyl)ethyl]-1-phthalazinone IUPAC Name: 4-pyridin-3-yl-2-[2-(tetrazol-1-yl)ethyl]phthalazin-1-one Traditional Name: 4-(3-pyridyl)-2-[2-(tetrazol-1-yl)ethyl]phthalazin-1-one Formula: C16H13N7O MolecularWeight: 319.32072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=NN=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=NN=N3)C4=CN=CC=C4

InChI

InChI=1S/C16H13N7O/c24-16-14-6-2-1-5-13(14)15(12-4-3-7-17-10-12)19-23(16)9-8-22-11-18-20-21-22/h1-7,10-11H,8-9H2