N-[2-[5-(butanoylamino)-1-methyl-benzimidazol-2-yl]ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[5-(butanoylamino)-1-methyl-benzimidazol-2-yl]ethyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[5-(butanoylamino)-1-methyl-benzimidazol-2-yl]ethyl]-3-fluoro-benzamide CAS Name: 3-fluoro-N-[2-[1-methyl-5-(1-oxobutylamino)-2-benzimidazolyl]ethyl]benzamide IUPAC Name: N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide Traditional Name: N-[2-(5-butyramido-1-methyl-benzimidazol-2-yl)ethyl]-3-fluoro-benzamide Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCNC(=O)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCNC(=O)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H23FN4O2/c1-3-5-20(27)24-16-8-9-18-17(13-16)25-19(26(18)2)10-11-23-21(28)14-6-4-7-15(22)12-14/h4,6-9,12-13H,3,5,10-11H2,1-2H3,(H,23,28)(H,24,27)