2-[5-[(1R,4S)-2,3-diazabicyclo[2.2.1]hept-2-en-7-ylidene]pentyl]propanedinitrile

Systemtic Name: 2-[5-[(1R,4S)-2,3-diazabicyclo[2.2.1]hept-2-en-7-ylidene]pentyl]propanedinitrile Openeye Name: 2-[5-[(1R,4S)-2,3-diazabicyclo[2.2.1]hept-2-en-7-ylidene]pentyl]propanedinitrile CAS Name: 2-[5-[(1R,4S)-2,3-diazabicyclo[2.2.1]hept-2-en-7-ylidene]pentyl]propanedinitrile IUPAC Name: 2-[5-[(1R,4S)-2,3-diazabicyclo[2.2.1]hept-2-en-7-ylidene]pentyl]propanedinitrile Traditional Name: 2-[5-[(1R,4S)-2,3-diazabicyclo[2.2.1]hept-2-en-7-ylidene]pentyl]malononitrile Formula: C13H16N4 MolecularWeight: 228.29294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=CCCCCC(C#N)C#N)C1N=N2

Isomeric SMILES

C1C[C@H]2C(=CCCCCC(C#N)C#N)[C@@H]1N=N2

InChI

InChI=1S/C13H16N4/c14-8-10(9-15)4-2-1-3-5-11-12-6-7-13(11)17-16-12/h5,10,12-13H,1-4,6-7H2/t12-,13+