2-fluoranyl-N-[6-[4-(2-oxidanyl-3-prop-2-ynoxy-propyl)piperazin-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[6-[4-(2-oxidanyl-3-prop-2-ynoxy-propyl)piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-prop-2-ynoxy-propyl)piperazin-1-yl]-3-pyridyl]benzamide CAS Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-prop-2-ynoxypropyl)-1-piperazinyl]-3-pyridinyl]benzamide IUPAC Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-prop-2-ynoxypropyl)piperazin-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-propargyloxy-propyl)piperazino]-3-pyridyl]benzamide Formula: C22H25FN4O3 MolecularWeight: 412.457303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)O

Isomeric SMILES

C#CCOCC(CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F)O

InChI

InChI=1S/C22H25FN4O3/c1-2-13-30-16-18(28)15-26-9-11-27(12-10-26)21-8-7-17(14-24-21)25-22(29)19-5-3-4-6-20(19)23/h1,3-8,14,18,28H,9-13,15-16H2,(H,25,29)