4-(1-oxidanylidenephthalazin-2-yl)butanenitrile

Systemtic Name: 4-(1-oxidanylidenephthalazin-2-yl)butanenitrile Openeye Name: 4-(1-oxophthalazin-2-yl)butanenitrile CAS Name: 4-(1-oxo-2-phthalazinyl)butanenitrile IUPAC Name: 4-(1-oxophthalazin-2-yl)butanenitrile Traditional Name: 4-(1-ketophthalazin-2-yl)butyronitrile Formula: C12H11N3O MolecularWeight: 213.23524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCCC#N

InChI

InChI=1S/C12H11N3O/c13-7-3-4-8-15-12(16)11-6-2-1-5-10(11)9-14-15/h1-2,5-6,9H,3-4,8H2