[4-(2-isocyanoethyl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(2-isocyanoethyl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(2-isocyanoethyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-(2-isocyanoethyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(2-isocyanoethyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(2-isocyanoethyl)piperazino]-phenyl-methanone Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]CCN1CCN(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

[C-]#[N+]CCN1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O/c1-15-7-8-16-9-11-17(12-10-16)14(18)13-5-3-2-4-6-13/h2-6H,7-12H2