7-fluoranyl-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-3-carboxamide

Systemtic Name: 7-fluoranyl-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-3-carboxamide Openeye Name: 7-fluoro-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-3-carboxamide CAS Name: 7-fluoro-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-quinolinecarboxamide IUPAC Name: 7-fluoro-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-3-carboxamide Traditional Name: 7-fluoro-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]quinoline-3-carboxamide Formula: C21H18FN5O MolecularWeight: 375.398923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NCC3=CC=CC=C3CN4C=NC=N4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NCC3=CC=CC=C3CN4C=NC=N4

InChI

InChI=1S/C21H18FN5O/c1-14-19(8-15-6-7-18(22)9-20(15)26-14)21(28)24-10-16-4-2-3-5-17(16)11-27-13-23-12-25-27/h2-9,12-13H,10-11H2,1H3,(H,24,28)