2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(9-methyl-4-oxidanylidene-2-phenoxy-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(9-methyl-4-oxidanylidene-2-phenoxy-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(9-methyl-4-oxo-2-phenoxy-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(9-methyl-4-oxo-2-phenoxy-3-pyrido[1,2-a]pyrimidin-5-iumylidene)propanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(9-methyl-4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(4-keto-9-methyl-2-phenoxy-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propionitrile Formula: C25H18N5O2+ MolecularWeight: 420.44272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N=C(C(=CC(=C3NC4=CC=CC=C4N3)C#N)C(=O)[N+]2=CC=C1)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2N=C(C(=CC(=C3NC4=CC=CC=C4N3)C#N)C(=O)[N+]2=CC=C1)OC5=CC=CC=C5

InChI

InChI=1S/C25H17N5O2/c1-16-8-7-13-30-23(16)29-24(32-18-9-3-2-4-10-18)19(25(30)31)14-17(15-26)22-27-20-11-5-6-12-21(20)28-22/h2-14H,1H3,(H,27,28)/p+1