2-[[4-[2-(hydroxymethyl)azepan-1-yl]phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-[2-(hydroxymethyl)azepan-1-yl]phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-[2-(hydroxymethyl)azepan-1-yl]phenyl]methylene]propanedinitrile CAS Name: 2-[[4-[2-(hydroxymethyl)-1-azepanyl]phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-[2-(hydroxymethyl)azepan-1-yl]phenyl]methylidene]propanedinitrile Traditional Name: 2-[4-(2-methylolazepan-1-yl)benzylidene]malononitrile Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2=CC=C(C=C2)C=C(C#N)C#N)CO

Isomeric SMILES

C1CCC(N(CC1)C2=CC=C(C=C2)C=C(C#N)C#N)CO

InChI

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