phenyl 4-[cyano(pyridin-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[cyano(pyridin-3-yl)methyl]piperazine-1-carboxylate Openeye Name: phenyl 4-[cyano(3-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[cyano(3-pyridinyl)methyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[cyano(pyridin-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[cyano(3-pyridyl)methyl]piperazine-1-carboxylic acid phenyl ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2/c19-13-17(15-5-4-8-20-14-15)21-9-11-22(12-10-21)18(23)24-16-6-2-1-3-7-16/h1-8,14,17H,9-12H2