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

Systemtic Name: [8-chloranyl-6-fluoranyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-1-[4-(1,2,3-triazol-2-ylmethyl)phenyl]quinolin-3-yl] hydrogen carbonate Openeye Name: [8-chloro-6-fluoro-7-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-1-[4-(triazol-2-ylmethyl)phenyl]-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [8-chloro-6-fluoro-7-[4-(4-fluorophenyl)-1-piperazinyl]-4-oxo-1-[4-(2-triazolylmethyl)phenyl]-3-quinolinyl] ester IUPAC Name: [8-chloro-6-fluoro-7-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-1-[4-(triazol-2-ylmethyl)phenyl]quinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [8-chloro-6-fluoro-7-[4-(4-fluorophenyl)piperazino]-4-keto-1-[4-(triazol-2-ylmethyl)phenyl]-3-quinolyl] ester Formula: C29H23ClF2N6O4 MolecularWeight: 592.980526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)OC(=O)O)C5=CC=C(C=C5)CN6N=CC=N6)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)OC(=O)O)C5=CC=C(C=C5)CN6N=CC=N6)F

InChI

InChI=1S/C29H23ClF2N6O4/c30-25-26-22(15-23(32)27(25)36-13-11-35(12-14-36)20-7-3-19(31)4-8-20)28(39)24(42-29(40)41)17-37(26)21-5-1-18(2-6-21)16-38-33-9-10-34-38/h1-10,15,17H,11-14,16H2,(H,40,41)