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

Systemtic Name: N-[6-[4-(3-ethoxy-2-oxidanyl-propyl)piperazin-1-yl]pyridin-3-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-[4-(3-ethoxy-2-hydroxy-propyl)piperazin-1-yl]-3-pyridyl]-2-fluoro-benzamide CAS Name: N-[6-[4-(3-ethoxy-2-hydroxypropyl)-1-piperazinyl]-3-pyridinyl]-2-fluorobenzamide IUPAC Name: N-[6-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]pyridin-3-yl]-2-fluorobenzamide Traditional Name: N-[6-[4-(3-ethoxy-2-hydroxy-propyl)piperazino]-3-pyridyl]-2-fluoro-benzamide Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN4O3/c1-2-29-15-17(27)14-25-9-11-26(12-10-25)20-8-7-16(13-23-20)24-21(28)18-5-3-4-6-19(18)22/h3-8,13,17,27H,2,9-12,14-15H2,1H3,(H,24,28)