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

Systemtic Name: 2-fluoranyl-N-[6-[4-(3-methyl-2-oxidanyl-butyl)piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-methyl-butyl)piperazin-1-yl]-3-pyridyl]benzamide CAS Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-methylbutyl)-1-piperazinyl]-3-pyridinyl]benzamide IUPAC Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-methylbutyl)piperazin-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-fluoro-N-[6-[4-(2-hydroxy-3-methyl-butyl)piperazino]-3-pyridyl]benzamide Formula: C21H27FN4O2 MolecularWeight: 386.463083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN4O2/c1-15(2)19(27)14-25-9-11-26(12-10-25)20-8-7-16(13-23-20)24-21(28)17-5-3-4-6-18(17)22/h3-8,13,15,19,27H,9-12,14H2,1-2H3,(H,24,28)