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

Systemtic Name: [8-chloranyl-7-[4-(2-chlorophenyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-1-[4-(1,2,3-triazol-2-ylmethyl)phenyl]quinolin-3-yl] hydrogen carbonate Openeye Name: [8-chloro-7-[4-(2-chlorophenyl)piperazin-1-yl]-6-fluoro-4-oxo-1-[4-(triazol-2-ylmethyl)phenyl]-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [8-chloro-7-[4-(2-chlorophenyl)-1-piperazinyl]-6-fluoro-4-oxo-1-[4-(2-triazolylmethyl)phenyl]-3-quinolinyl] ester IUPAC Name: [8-chloro-7-[4-(2-chlorophenyl)piperazin-1-yl]-6-fluoro-4-oxo-1-[4-(triazol-2-ylmethyl)phenyl]quinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [8-chloro-7-[4-(2-chlorophenyl)piperazino]-6-fluoro-4-keto-1-[4-(triazol-2-ylmethyl)phenyl]-3-quinolyl] ester Formula: C29H23Cl2FN6O4 MolecularWeight: 609.435123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)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=CC=C2Cl)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/C29H23Cl2FN6O4/c30-21-3-1-2-4-23(21)35-11-13-36(14-12-35)27-22(32)15-20-26(25(27)31)37(17-24(28(20)39)42-29(40)41)19-7-5-18(6-8-19)16-38-33-9-10-34-38/h1-10,15,17H,11-14,16H2,(H,40,41)