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

Systemtic Name: (2S)-2-[[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]pentanedinitrile Openeye Name: (2S)-2-[[1-oxo-4-(p-tolyl)phthalazin-2-yl]methyl]pentanedinitrile CAS Name: (2S)-2-[[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]methyl]pentanedinitrile IUPAC Name: (2S)-2-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]pentanedinitrile Traditional Name: (2S)-2-[[1-keto-4-(p-tolyl)phthalazin-2-yl]methyl]glutaronitrile Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C[C@H](CCC#N)C#N

InChI

InChI=1S/C21H18N4O/c1-15-8-10-17(11-9-15)20-18-6-2-3-7-19(18)21(26)25(24-20)14-16(13-23)5-4-12-22/h2-3,6-11,16H,4-5,14H2,1H3/t16-/m1/s1