3-[(2-oxidanylidenepiperazin-1-yl)methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[(2-oxidanylidenepiperazin-1-yl)methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[(2-oxopiperazin-1-yl)methyl]benzonitrile hydrochloride CAS Name: 3-[(2-oxo-1-piperazinyl)methyl]benzonitrile hydrochloride IUPAC Name: 3-[(2-oxopiperazin-1-yl)methyl]benzonitrile hydrochloride Traditional Name: 3-[(2-ketopiperazino)methyl]benzonitrile hydrochloride Formula: C12H14ClN3O MolecularWeight: 251.71206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1)CC2=CC=CC(=C2)C#N.Cl

Isomeric SMILES

C1CN(C(=O)CN1)CC2=CC=CC(=C2)C#N.Cl

InChI

InChI=1S/C12H13N3O.ClH/c13-7-10-2-1-3-11(6-10)9-15-5-4-14-8-12(15)16;/h1-3,6,14H,4-5,8-9H2;1H