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

Systemtic Name: 2-[[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(7-oxo-1-cyclohepta-1,3,5-trienyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(7-ketocyclohepta-1,3,5-trien-1-yl)piperazino]methyl]benzonitrile Formula: C19H19N3O MolecularWeight: 305.37366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)C3=CC=CC=CC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)C3=CC=CC=CC3=O

InChI

InChI=1S/C19H19N3O/c20-14-16-6-4-5-7-17(16)15-21-10-12-22(13-11-21)18-8-2-1-3-9-19(18)23/h1-9H,10-13,15H2