8-[bis(fluoranyl)methoxy]-6-fluoranyl-4-oxidanylidene-7-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methoxy]-6-fluoranyl-4-oxidanylidene-7-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Openeye Name: 8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid CAS Name: 8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Traditional Name: 8-(difluoromethoxy)-6-fluoro-4-keto-7-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Formula: C31H24F3N5O4 MolecularWeight: 587.54857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C3=C(C=C4C(=C3OC(F)F)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)CN6C=NC=N6)F

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C3=C(C=C4C(=C3OC(F)F)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)CN6C=NC=N6)F

InChI

InChI=1S/C31H24F3N5O4/c32-25-14-23-26(29(43-31(33)34)27(25)37-12-10-21(11-13-37)20-4-2-1-3-5-20)39(16-24(28(23)40)30(41)42)22-8-6-19(7-9-22)15-38-18-35-17-36-38/h1-10,14,16-18,31H,11-13,15H2,(H,41,42)