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

Systemtic Name: N-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridin-3-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridyl]-2-fluoro-benzamide CAS Name: N-[6-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-3-pyridinyl]-2-fluorobenzamide IUPAC Name: N-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridin-3-yl]-2-fluorobenzamide Traditional Name: N-[6-[4-(3,3-dimethylbutanoyl)piperazino]-3-pyridyl]-2-fluoro-benzamide Formula: C22H27FN4O2 MolecularWeight: 398.473783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O2/c1-22(2,3)14-20(28)27-12-10-26(11-13-27)19-9-8-16(15-24-19)25-21(29)17-6-4-5-7-18(17)23/h4-9,15H,10-14H2,1-3H3,(H,25,29)