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

Systemtic Name: 2-[[[4-(azepan-1-ylcarbonyl)phenyl]amino]methylidene]propanedinitrile Openeye Name: 2-[[4-(azepane-1-carbonyl)anilino]methylene]propanedinitrile CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]anilino]methylidene]propanedinitrile IUPAC Name: 2-[[4-(azepane-1-carbonyl)anilino]methylidene]propanedinitrile Traditional Name: 2-[[4-(azepane-1-carbonyl)anilino]methylene]malononitrile Formula: C17H18N4O MolecularWeight: 294.35102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O/c18-11-14(12-19)13-20-16-7-5-15(6-8-16)17(22)21-9-3-1-2-4-10-21/h5-8,13,20H,1-4,9-10H2