N-[2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-[1-(3,3-dimethylbutanoyl)-4-piperidyl]pyrazol-3-yl]-3-fluoro-benzamide CAS Name: N-[2-[1-(3,3-dimethyl-1-oxobutyl)-4-piperidinyl]-3-pyrazolyl]-3-fluorobenzamide IUPAC Name: N-[2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide Traditional Name: N-[2-[1-(3,3-dimethylbutanoyl)-4-piperidyl]pyrazol-3-yl]-3-fluoro-benzamide Formula: C21H27FN4O2 MolecularWeight: 386.463083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H27FN4O2/c1-21(2,3)14-19(27)25-11-8-17(9-12-25)26-18(7-10-23-26)24-20(28)15-5-4-6-16(22)13-15/h4-7,10,13,17H,8-9,11-12,14H2,1-3H3,(H,24,28)