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

Systemtic Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-1-[3-(1,2,3-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Openeye Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-6-fluoro-4-oxo-1-[3-(triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid CAS Name: 7-[4-(3-chlorophenyl)-1-piperazinyl]-6-fluoro-4-oxo-1-[3-(1-triazolylmethyl)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-6-fluoro-4-oxo-1-[3-(triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Traditional Name: 7-[4-(3-chlorophenyl)piperazino]-6-fluoro-4-keto-1-[3-(triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Formula: C29H24ClFN6O3 MolecularWeight: 558.990663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24ClFN6O3/c30-20-4-2-5-21(14-20)34-9-11-35(12-10-34)27-16-26-23(15-25(27)31)28(38)24(29(39)40)18-37(26)22-6-1-3-19(13-22)17-36-8-7-32-33-36/h1-8,13-16,18H,9-12,17H2,(H,39,40)