(2Z)-2-[[4-(azepan-1-yl)phenyl]methylidene]-3-oxidanyl-butanedinitrile

Systemtic Name: (2Z)-2-[[4-(azepan-1-yl)phenyl]methylidene]-3-oxidanyl-butanedinitrile Openeye Name: (2Z)-2-[[4-(azepan-1-yl)phenyl]methylene]-3-hydroxy-butanedinitrile CAS Name: (2Z)-2-[[4-(1-azepanyl)phenyl]methylidene]-3-hydroxybutanedinitrile IUPAC Name: (2Z)-2-[[4-(azepan-1-yl)phenyl]methylidene]-3-hydroxybutanedinitrile Traditional Name: (2Z)-2-[4-(azepan-1-yl)benzylidene]-3-hydroxy-succinonitrile Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=C(C#N)C(C#N)O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C(/C#N)\C(C#N)O

InChI

InChI=1S/C17H19N3O/c18-12-15(17(21)13-19)11-14-5-7-16(8-6-14)20-9-3-1-2-4-10-20/h5-8,11,17,21H,1-4,9-10H2/b15-11-