[(1S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[3-ethyl-5-oxidanylidene-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propyl] hypochlorite

Systemtic Name: [(1S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[3-ethyl-5-oxidanylidene-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propyl] hypochlorite Openeye Name: [(1S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[3-ethyl-5-oxo-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propyl] hypochlorite CAS Name: hypochlorous acid [(1S)-3-[4-(3-chlorophenyl)-1-piperazinyl]-1-[3-ethyl-5-oxo-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propyl] ester IUPAC Name: [(1S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[3-ethyl-5-oxo-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propyl] hypochlorite Traditional Name: hypochlorous acid [(1S)-3-[4-(3-chlorophenyl)piperazino]-1-[3-ethyl-5-keto-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propyl] ester Formula: C25H31Cl2N5O3 MolecularWeight: 520.45134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)C(CCN3CCN(CC3)C4=CC(=CC=C4)Cl)OCl

Isomeric SMILES

CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)[C@H](CCN3CCN(CC3)C4=CC(=CC=C4)Cl)OCl

InChI

InChI=1S/C25H31Cl2N5O3/c1-2-23-28-32(25(33)31(23)17-18-34-22-9-4-3-5-10-22)24(35-27)11-12-29-13-15-30(16-14-29)21-8-6-7-20(26)19-21/h3-10,19,24H,2,11-18H2,1H3/t24-/m0/s1