[4-(isocyanomethyl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(isocyanomethyl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(isocyanomethyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-(isocyanomethyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(isocyanomethyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(isocyanomethyl)piperazino]-phenyl-methanone Formula: C13H15N3O MolecularWeight: 229.2777

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CN1CCN(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

[C-]#[N+]CN1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

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