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

Systemtic Name: 2-fluoranyl-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-fluoro-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridyl]benzamide CAS Name: 2-fluoro-N-[6-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-3-pyridinyl]benzamide IUPAC Name: 2-fluoro-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-fluoro-N-[6-(4-isovalerylpiperazino)-3-pyridyl]benzamide Formula: C21H25FN4O2 MolecularWeight: 384.447203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN4O2/c1-15(2)13-20(27)26-11-9-25(10-12-26)19-8-7-16(14-23-19)24-21(28)17-5-3-4-6-18(17)22/h3-8,14-15H,9-13H2,1-2H3,(H,24,28)