2-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(4-fluorobenzothiophene-2-carbonyl)piperazino]isonicotinonitrile Formula: C19H15FN4OS MolecularWeight: 366.412003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C19H15FN4OS/c20-15-2-1-3-16-14(15)11-17(26-16)19(25)24-8-6-23(7-9-24)18-10-13(12-21)4-5-22-18/h1-5,10-11H,6-9H2