2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)quinoline hydrate dihydrochloride

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)quinoline hydrate dihydrochloride Openeye Name: 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)quinoline hydrate dihydrochloride CAS Name: 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)quinoline hydrate dihydrochloride IUPAC Name: 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)quinoline hydrate dihydrochloride Traditional Name: 2-(4-ethylpiperazino)-4-(4-fluorophenyl)quinoline hydrate dihydrochloride Formula: C21H26Cl2FN3O MolecularWeight: 426.355043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=CC=C(C=C4)F.O.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=CC=C(C=C4)F.O.Cl.Cl

InChI

InChI=1S/C21H22FN3.2ClH.H2O/c1-2-24-11-13-25(14-12-24)21-15-19(16-7-9-17(22)10-8-16)18-5-3-4-6-20(18)23-21;;;/h3-10,15H,2,11-14H2,1H3;2*1H;1H2