2-isocyano-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-isocyano-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-isocyano-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-isocyano-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-isocyano-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-isocyano-1-(4-phenylpiperazino)ethanone Formula: C13H15N3O MolecularWeight: 229.2777

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CC(=O)N1CCN(CC1)C2=CC=CC=C2

Isomeric SMILES

[C-]#[N+]CC(=O)N1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O/c1-14-11-13(17)16-9-7-15(8-10-16)12-5-3-2-4-6-12/h2-6H,7-11H2