(2S)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-3-(4-oxidanylidene-3H-phthalazin-1-yl)propanenitrile

Systemtic Name: (2S)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-3-(4-oxidanylidene-3H-phthalazin-1-yl)propanenitrile Openeye Name: (2S)-2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(4-oxo-3H-phthalazin-1-yl)propanenitrile CAS Name: (2S)-2-(1-methyl-2-benzimidazolyl)-3-oxo-3-(4-oxo-3H-phthalazin-1-yl)propanenitrile IUPAC Name: (2S)-2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(4-oxo-3H-phthalazin-1-yl)propanenitrile Traditional Name: (2S)-3-keto-3-(4-keto-3H-phthalazin-1-yl)-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C19H13N5O2 MolecularWeight: 343.33882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H13N5O2/c1-24-15-9-5-4-8-14(15)21-18(24)13(10-20)17(25)16-11-6-2-3-7-12(11)19(26)23-22-16/h2-9,13H,1H3,(H,23,26)/t13-/m1/s1