[6-fluoranyl-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)-1-[4-(1,2,3-triazol-1-ylmethyl)phenyl]quinolin-3-yl] hydrogen carbonate

Systemtic Name: [6-fluoranyl-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)-1-[4-(1,2,3-triazol-1-ylmethyl)phenyl]quinolin-3-yl] hydrogen carbonate Openeye Name: [6-fluoro-4-oxo-7-(4-phenylpiperazin-1-yl)-1-[4-(triazol-1-ylmethyl)phenyl]-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [6-fluoro-4-oxo-7-(4-phenyl-1-piperazinyl)-1-[4-(1-triazolylmethyl)phenyl]-3-quinolinyl] ester IUPAC Name: [6-fluoro-4-oxo-7-(4-phenylpiperazin-1-yl)-1-[4-(triazol-1-ylmethyl)phenyl]quinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [6-fluoro-4-keto-7-(4-phenylpiperazino)-1-[4-(triazol-1-ylmethyl)phenyl]-3-quinolyl] ester Formula: C29H25FN6O4 MolecularWeight: 540.545003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25FN6O4/c30-24-16-23-25(17-26(24)34-14-12-33(13-15-34)21-4-2-1-3-5-21)36(19-27(28(23)37)40-29(38)39)22-8-6-20(7-9-22)18-35-11-10-31-32-35/h1-11,16-17,19H,12-15,18H2,(H,38,39)