5-(furan-2-yl)-2-(phenylmethyl)-3,4-dihydropyrazole hydrate tetrahydrochloride

Systemtic Name: 5-(furan-2-yl)-2-(phenylmethyl)-3,4-dihydropyrazole hydrate tetrahydrochloride Openeye Name: 2-benzyl-5-(2-furyl)-3,4-dihydropyrazole hydrate tetrahydrochloride CAS Name: 5-(2-furanyl)-2-(phenylmethyl)-3,4-dihydropyrazole hydrate tetrahydrochloride IUPAC Name: 2-benzyl-5-(furan-2-yl)-3,4-dihydropyrazole hydrate tetrahydrochloride Traditional Name: 1-benzyl-3-(2-furyl)-2-pyrazoline hydrate tetrahydrochloride Formula: C28H34Cl4N4O3 MolecularWeight: 616.40656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CO2)CC3=CC=CC=C3.C1CN(N=C1C2=CC=CO2)CC3=CC=CC=C3.O.Cl.Cl.Cl.Cl

Isomeric SMILES

C1CN(N=C1C2=CC=CO2)CC3=CC=CC=C3.C1CN(N=C1C2=CC=CO2)CC3=CC=CC=C3.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C14H14N2O.4ClH.H2O/c2*1-2-5-12(6-3-1)11-16-9-8-13(15-16)14-7-4-10-17-14;;;;;/h2*1-7,10H,8-9,11H2;4*1H;1H2