N-piperidin-4-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hydrochloride

Systemtic Name: N-piperidin-4-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hydrochloride Openeye Name: N-(4-piperidyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hydrochloride CAS Name: N-(4-piperidinyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hydrochloride IUPAC Name: N-piperidin-4-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hydrochloride Traditional Name: 4-piperidyl-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amine hydrate hydrochloride Formula: C14H18ClF3N4O MolecularWeight: 350.76713

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=NC=CC3=C2C=CC(=N3)C(F)(F)F.O.Cl

Isomeric SMILES

C1CNCCC1NC2=NC=CC3=C2C=CC(=N3)C(F)(F)F.O.Cl

InChI

InChI=1S/C14H15F3N4.ClH.H2O/c15-14(16,17)12-2-1-10-11(21-12)5-8-19-13(10)20-9-3-6-18-7-4-9;;/h1-2,5,8-9,18H,3-4,6-7H2,(H,19,20);1H;1H2