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

Systemtic Name: 5-[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]pentanenitrile Openeye Name: 5-[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]pentanenitrile CAS Name: 5-[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]pentanenitrile IUPAC Name: 5-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]pentanenitrile Traditional Name: 5-[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]valeronitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c1-15-10-11-16(2)19(14-15)20-17-8-4-5-9-18(17)21(25)24(23-20)13-7-3-6-12-22/h4-5,8-11,14H,3,6-7,13H2,1-2H3