3-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]propanenitrile

Systemtic Name: 3-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]propanenitrile Openeye Name: 3-[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]propanenitrile CAS Name: 3-[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]propanenitrile IUPAC Name: 3-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]propanenitrile Traditional Name: 3-[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]propionitrile Formula: C19H17N3O MolecularWeight: 303.35778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O/c1-13-8-9-14(2)17(12-13)18-15-6-3-4-7-16(15)19(23)22(21-18)11-5-10-20/h3-4,6-9,12H,5,11H2,1-2H3