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

Systemtic Name: 3-fluoranyl-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide Openeye Name: 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide CAS Name: 3-fluoro-N-[2-[1-methyl-5-[(3-methyl-1-oxobutyl)amino]-2-benzimidazolyl]ethyl]benzamide IUPAC Name: 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide Traditional Name: 3-fluoro-N-[2-[5-(isovalerylamino)-1-methyl-benzimidazol-2-yl]ethyl]benzamide Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O2/c1-14(2)11-21(28)25-17-7-8-19-18(13-17)26-20(27(19)3)9-10-24-22(29)15-5-4-6-16(23)12-15/h4-8,12-14H,9-11H2,1-3H3,(H,24,29)(H,25,28)