1-(4-methylphenyl)-4-oxidanylidene-3H-phthalazine-5-carbonitrile

Systemtic Name: 1-(4-methylphenyl)-4-oxidanylidene-3H-phthalazine-5-carbonitrile Openeye Name: 4-oxo-1-(p-tolyl)-3H-phthalazine-5-carbonitrile CAS Name: 1-(4-methylphenyl)-4-oxo-3H-phthalazine-5-carbonitrile IUPAC Name: 1-(4-methylphenyl)-4-oxo-3H-phthalazine-5-carbonitrile Traditional Name: 4-keto-1-(p-tolyl)-3H-phthalazine-5-carbonitrile Formula: C16H11N3O MolecularWeight: 261.27804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=O)C3=C(C=CC=C32)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=O)C3=C(C=CC=C32)C#N

InChI

InChI=1S/C16H11N3O/c1-10-5-7-11(8-6-10)15-13-4-2-3-12(9-17)14(13)16(20)19-18-15/h2-8H,1H3,(H,19,20)