4-(azepan-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(azepan-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(azepan-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(1-azepanyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-(azepan-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(azepan-1-yl)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)CN3CCCCCC3

Isomeric SMILES

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)CN3CCCCCC3

InChI

InChI=1S/C18H22N4O/c1-21-16-9-5-4-8-15(16)20-18(21)14(12-19)17(23)13-22-10-6-2-3-7-11-22/h4-5,8-9,20H,2-3,6-7,10-11,13H2,1H3