2-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-(7-oxo-1-cyclohepta-1,3,5-trienyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(7-ketocyclohepta-1,3,5-trien-1-yl)piperazino]acetonitrile Formula: C13H15N3O MolecularWeight: 229.2777

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)C2=CC=CC=CC2=O

Isomeric SMILES

C1CN(CCN1CC#N)C2=CC=CC=CC2=O

InChI

InChI=1S/C13H15N3O/c14-6-7-15-8-10-16(11-9-15)12-4-2-1-3-5-13(12)17/h1-5H,7-11H2