2-[4-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-(2-chloro-6-fluoro-phenyl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[2-(2-chloro-6-fluoro-phenyl)acetyl]piperazino]isonicotinonitrile Formula: C18H16ClFN4O MolecularWeight: 358.797243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H16ClFN4O/c19-15-2-1-3-16(20)14(15)11-18(25)24-8-6-23(7-9-24)17-10-13(12-21)4-5-22-17/h1-5,10H,6-9,11H2