2-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

Systemtic Name: 2-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione Openeye Name: 2-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione CAS Name: 2-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione IUPAC Name: 2-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione Traditional Name: 2-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-quinone Formula: C36H37Cl2N7O5 MolecularWeight: 718.62888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=O)N(C(=O)N2C1)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OCC6COC(O6)(CN7C=CN=C7)C8=C(C=C(C=C8)Cl)Cl

Isomeric SMILES

C1CCN2C(=O)N(C(=O)N2C1)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OC[C@@H]6CO[C@@](O6)(CN7C=CN=C7)C8=C(C=C(C=C8)Cl)Cl

InChI

InChI=1S/C36H37Cl2N7O5/c37-26-3-12-32(33(38)21-26)36(24-40-16-13-39-25-40)49-23-31(50-36)22-48-30-10-8-28(9-11-30)42-19-17-41(18-20-42)27-4-6-29(7-5-27)45-34(46)43-14-1-2-15-44(43)35(45)47/h3-13,16,21,25,31H,1-2,14-15,17-20,22-24H2/t31-,36-/m1/s1