N-(4-fluorophenyl)-6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-amine hydrate pentahydrochloride

Systemtic Name: N-(4-fluorophenyl)-6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-amine hydrate pentahydrochloride Openeye Name: N-(4-fluorophenyl)-6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-amine hydrate pentahydrochloride CAS Name: N-(4-fluorophenyl)-6-(1-piperazinyl)-3-(trifluoromethyl)-4-pyridazinamine hydrate pentahydrochloride IUPAC Name: N-(4-fluorophenyl)-6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-amine hydrate pentahydrochloride Traditional Name: (4-fluorophenyl)-[6-piperazino-3-(trifluoromethyl)pyridazin-4-yl]amine hydrate pentahydrochloride Formula: C30H37Cl5F8N10O MolecularWeight: 882.933406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NN=C(C(=C2)NC3=CC=C(C=C3)F)C(F)(F)F.C1CN(CCN1)C2=NN=C(C(=C2)NC3=CC=C(C=C3)F)C(F)(F)F.O.Cl.Cl.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2=NN=C(C(=C2)NC3=CC=C(C=C3)F)C(F)(F)F.C1CN(CCN1)C2=NN=C(C(=C2)NC3=CC=C(C=C3)F)C(F)(F)F.O.Cl.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C15H15F4N5.5ClH.H2O/c2*16-10-1-3-11(4-2-10)21-12-9-13(24-7-5-20-6-8-24)22-23-14(12)15(17,18)19;;;;;;/h2*1-4,9,20H,5-8H2,(H,21,22);5*1H;1H2