7-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Openeye Name: 7-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-6,8-difluoro-4-oxo-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid CAS Name: 7-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1-piperazinyl]-6,8-difluoro-4-oxo-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-6,8-difluoro-4-oxo-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Traditional Name: 7-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazino]-6,8-difluoro-4-keto-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Formula: C30H22ClF5N6O3 MolecularWeight: 644.979096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)CN6C=NC=N6)F

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5=CC=C(C=C5)CN6C=NC=N6)F

InChI

InChI=1S/C30H22ClF5N6O3/c31-23-6-5-19(11-22(23)30(34,35)36)39-7-9-40(10-8-39)27-24(32)12-20-26(25(27)33)42(14-21(28(20)43)29(44)45)18-3-1-17(2-4-18)13-41-16-37-15-38-41/h1-6,11-12,14-16H,7-10,13H2,(H,44,45)