2-fluoranyl-N-[6-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[6-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-fluoro-N-[6-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]-3-pyridyl]benzamide CAS Name: 2-fluoro-N-[6-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-3-pyridinyl]benzamide IUPAC Name: 2-fluoro-N-[6-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-fluoro-N-[6-[4-[2-(2-thienyl)acetyl]piperazino]-3-pyridyl]benzamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)CC4=CC=CS4

InChI

InChI=1S/C22H21FN4O2S/c23-19-6-2-1-5-18(19)22(29)25-16-7-8-20(24-15-16)26-9-11-27(12-10-26)21(28)14-17-4-3-13-30-17/h1-8,13,15H,9-12,14H2,(H,25,29)