N-[2-[5-(butanoylamino)-1-methyl-benzimidazol-2-yl]ethyl]-3-fluoranyl-4-methyl-benzamide

Systemtic Name: N-[2-[5-(butanoylamino)-1-methyl-benzimidazol-2-yl]ethyl]-3-fluoranyl-4-methyl-benzamide Openeye Name: N-[2-[5-(butanoylamino)-1-methyl-benzimidazol-2-yl]ethyl]-3-fluoro-4-methyl-benzamide CAS Name: 3-fluoro-4-methyl-N-[2-[1-methyl-5-(1-oxobutylamino)-2-benzimidazolyl]ethyl]benzamide IUPAC Name: N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-3-fluoro-4-methylbenzamide Traditional Name: N-[2-(5-butyramido-1-methyl-benzimidazol-2-yl)ethyl]-3-fluoro-4-methyl-benzamide Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O2/c1-4-5-21(28)25-16-8-9-19-18(13-16)26-20(27(19)3)10-11-24-22(29)15-7-6-14(2)17(23)12-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,24,29)(H,25,28)