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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN4O2/c1-3-16(4-2)22(29)27-13-11-26(12-14-27)20-10-9-19(15-24-20)25-21(28)17-5-7-18(23)8-6-17/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,28)