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

Systemtic Name: 2-[[4-(azepan-1-yl)phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-(azepan-1-yl)phenyl]methylene]propanedinitrile CAS Name: 2-[[4-(1-azepanyl)phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-(azepan-1-yl)phenyl]methylidene]propanedinitrile Traditional Name: 2-[4-(azepan-1-yl)benzylidene]malononitrile Formula: C16H17N3 MolecularWeight: 251.32628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3/c17-12-15(13-18)11-14-5-7-16(8-6-14)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10H2