2-[(1-oxidanylidene-4-phenyl-phthalazin-2-yl)methyl]pentanedinitrile

Systemtic Name: 2-[(1-oxidanylidene-4-phenyl-phthalazin-2-yl)methyl]pentanedinitrile Openeye Name: 2-[(1-oxo-4-phenyl-phthalazin-2-yl)methyl]pentanedinitrile CAS Name: 2-[(1-oxo-4-phenyl-2-phthalazinyl)methyl]pentanedinitrile IUPAC Name: 2-[(1-oxo-4-phenylphthalazin-2-yl)methyl]pentanedinitrile Traditional Name: 2-[(1-keto-4-phenyl-phthalazin-2-yl)methyl]glutaronitrile Formula: C20H16N4O MolecularWeight: 328.36724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(CCC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(CCC#N)C#N

InChI

InChI=1S/C20H16N4O/c21-12-6-7-15(13-22)14-24-20(25)18-11-5-4-10-17(18)19(23-24)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,14H2