N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-7-fluoranyl-2-methyl-quinoline-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-7-fluoranyl-2-methyl-quinoline-3-carboxamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-7-fluoro-2-methyl-quinoline-3-carboxamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-7-fluoro-2-methyl-3-quinolinecarboxamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-7-fluoro-2-methyl-quinoline-3-carboxamide Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NC3=NC(=CS3)CN4CCCCCC4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NC3=NC(=CS3)CN4CCCCCC4

InChI

InChI=1S/C21H23FN4OS/c1-14-18(10-15-6-7-16(22)11-19(15)23-14)20(27)25-21-24-17(13-28-21)12-26-8-4-2-3-5-9-26/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,24,25,27)