3-methyl-2-octyl-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-2-octyl-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-2-octyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-octyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile IUPAC Name: 3-methyl-2-octyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-keto-3-methyl-2-octyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)C

Isomeric SMILES

CCCCCCCCC1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)C

InChI

InChI=1S/C21H25N3O/c1-3-4-5-6-7-8-11-16-15(2)17(14-22)20-23-18-12-9-10-13-19(18)24(20)21(16)25/h9-10,12-13,23H,3-8,11H2,1-2H3