2-[[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[3-(azepan-1-ylmethyl)-2,5-dimethyl-phenyl]methylene]propanedinitrile CAS Name: 2-[[3-(1-azepanylmethyl)-2,5-dimethylphenyl]methylidene]propanedinitrile IUPAC Name: 2-[[3-(azepan-1-ylmethyl)-2,5-dimethylphenyl]methylidene]propanedinitrile Traditional Name: 2-[3-(azepan-1-ylmethyl)-2,5-dimethyl-benzylidene]malononitrile Formula: C19H23N3 MolecularWeight: 293.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C#N)C)CN2CCCCCC2

Isomeric SMILES

CC1=CC(=C(C(=C1)C=C(C#N)C#N)C)CN2CCCCCC2

InChI

InChI=1S/C19H23N3/c1-15-9-18(11-17(12-20)13-21)16(2)19(10-15)14-22-7-5-3-4-6-8-22/h9-11H,3-8,14H2,1-2H3