(2E)-2-[[4-(azepan-1-yl)phenyl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[[4-(azepan-1-yl)phenyl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[4-(azepan-1-yl)phenyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[4-(1-azepanyl)phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[4-(azepan-1-yl)phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-pivaloyl-acrylonitrile Formula: C20H26N2O MolecularWeight: 310.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)N2CCCCCC2)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=C(C=C1)N2CCCCCC2)/C#N

InChI

InChI=1S/C20H26N2O/c1-20(2,3)19(23)17(15-21)14-16-8-10-18(11-9-16)22-12-6-4-5-7-13-22/h8-11,14H,4-7,12-13H2,1-3H3/b17-14+