(2S)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-3-(2-pyridin-3-ylquinolin-4-yl)propanenitrile

Systemtic Name: (2S)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-3-(2-pyridin-3-ylquinolin-4-yl)propanenitrile Openeye Name: (2S)-2-(1-methylbenzimidazol-2-yl)-3-oxo-3-[2-(3-pyridyl)-4-quinolyl]propanenitrile CAS Name: (2S)-2-(1-methyl-2-benzimidazolyl)-3-oxo-3-[2-(3-pyridinyl)-4-quinolinyl]propanenitrile IUPAC Name: (2S)-2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(2-pyridin-3-ylquinolin-4-yl)propanenitrile Traditional Name: (2S)-3-keto-2-(1-methylbenzimidazol-2-yl)-3-[2-(3-pyridyl)-4-quinolyl]propionitrile Formula: C25H17N5O MolecularWeight: 403.43538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H17N5O/c1-30-23-11-5-4-10-21(23)29-25(30)19(14-26)24(31)18-13-22(16-7-6-12-27-15-16)28-20-9-3-2-8-17(18)20/h2-13,15,19H,1H3/t19-/m1/s1