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

Systemtic Name: N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hydrochloride Openeye Name: N-(4-piperidylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hydrochloride CAS Name: N-(4-piperidinylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hydrochloride IUPAC Name: N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hydrochloride Traditional Name: 4-piperidylmethyl-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amine hydrate hydrochloride Formula: C15H20ClF3N4O MolecularWeight: 364.79371

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC2=NC=CC3=C2C=CC(=N3)C(F)(F)F.O.Cl

Isomeric SMILES

C1CNCCC1CNC2=NC=CC3=C2C=CC(=N3)C(F)(F)F.O.Cl

InChI

InChI=1S/C15H17F3N4.ClH.H2O/c16-15(17,18)13-2-1-11-12(22-13)5-8-20-14(11)21-9-10-3-6-19-7-4-10;;/h1-2,5,8,10,19H,3-4,6-7,9H2,(H,20,21);1H;1H2