2-[7-azanyl-3-[cyano(phenyl)methyl]-1-oxidanylidene-2H-quinoxalin-1-ium-2-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[7-azanyl-3-[cyano(phenyl)methyl]-1-oxidanylidene-2H-quinoxalin-1-ium-2-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[7-amino-3-[cyano(phenyl)methyl]-1-oxo-2H-quinoxalin-1-ium-2-yl]-2-phenyl-acetonitrile CAS Name: 2-[7-amino-3-[cyano(phenyl)methyl]-1-oxo-2H-quinoxalin-1-ium-2-yl]-2-phenylacetonitrile IUPAC Name: 2-[7-amino-3-[cyano(phenyl)methyl]-1-oxo-2H-quinoxalin-1-ium-2-yl]-2-phenylacetonitrile Traditional Name: 2-[7-amino-3-[cyano(phenyl)methyl]-1-keto-2H-quinoxalin-1-ium-2-yl]-2-phenyl-acetonitrile Formula: C24H18N5O+ MolecularWeight: 392.43262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C2C(=NC3=C([N+]2=O)C=C(C=C3)N)C(C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C2C(=NC3=C([N+]2=O)C=C(C=C3)N)C(C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H18N5O/c25-14-19(16-7-3-1-4-8-16)23-24(20(15-26)17-9-5-2-6-10-17)29(30)22-13-18(27)11-12-21(22)28-23/h1-13,19-20,24H,27H2/q+1