1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(5-nitropyridin-2-yl)piperazine

Systemtic Name: 1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(5-nitropyridin-2-yl)piperazine Openeye Name: 1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(5-nitro-2-pyridyl)piperazine CAS Name: 1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(5-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(5-nitropyridin-2-yl)piperazine Traditional Name: 1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(5-nitro-2-pyridyl)piperazine Formula: C28H27Cl2N7O5 MolecularWeight: 612.46388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl)C6=NC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl)C6=NC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H27Cl2N7O5/c29-20-1-7-25(26(30)13-20)28(17-36-19-31-18-33-36)41-16-24(42-28)15-40-23-5-2-21(3-6-23)34-9-11-35(12-10-34)27-8-4-22(14-32-27)37(38)39/h1-8,13-14,18-19,24H,9-12,15-17H2