4-(azepan-1-yl)-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(azepan-1-yl)-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-butanenitrile Openeye Name: 4-(azepan-1-yl)-2-[2-(azepan-1-yl)-2-oxo-ethyl]-2-(1-methylbenzimidazol-2-yl)-4-oxo-butanenitrile CAS Name: 4-(1-azepanyl)-2-[2-(1-azepanyl)-2-oxoethyl]-2-(1-methyl-2-benzimidazolyl)-4-oxobutanenitrile IUPAC Name: 4-(azepan-1-yl)-2-[2-(azepan-1-yl)-2-oxoethyl]-2-(1-methylbenzimidazol-2-yl)-4-oxobutanenitrile Traditional Name: 4-(azepan-1-yl)-2-[2-(azepan-1-yl)-2-keto-ethyl]-4-keto-2-(1-methylbenzimidazol-2-yl)butyronitrile Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(CC(=O)N3CCCCCC3)(CC(=O)N4CCCCCC4)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(CC(=O)N3CCCCCC3)(CC(=O)N4CCCCCC4)C#N

InChI

InChI=1S/C26H35N5O2/c1-29-22-13-7-6-12-21(22)28-25(29)26(20-27,18-23(32)30-14-8-2-3-9-15-30)19-24(33)31-16-10-4-5-11-17-31/h6-7,12-13H,2-5,8-11,14-19H2,1H3