N-[[4-[3-[3-[3-(aminomethyl)azetidin-1-yl]prop-1-ynyl]pyridin-4-yl]oxy-3-fluoranyl-phenyl]carbamoyl]-2-(4-fluorophenyl)ethanamide trihydrochloride

Systemtic Name: N-[[4-[3-[3-[3-(aminomethyl)azetidin-1-yl]prop-1-ynyl]pyridin-4-yl]oxy-3-fluoranyl-phenyl]carbamoyl]-2-(4-fluorophenyl)ethanamide trihydrochloride Openeye Name: N-[[4-[[3-[3-[3-(aminomethyl)azetidin-1-yl]prop-1-ynyl]-4-pyridyl]oxy]-3-fluoro-phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide trihydrochloride CAS Name: N-[[4-[[3-[3-[3-(aminomethyl)-1-azetidinyl]prop-1-ynyl]-4-pyridinyl]oxy]-3-fluoroanilino]-oxomethyl]-2-(4-fluorophenyl)acetamide trihydrochloride IUPAC Name: N-[[4-[3-[3-[3-(aminomethyl)azetidin-1-yl]prop-1-ynyl]pyridin-4-yl]oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide trihydrochloride Traditional Name: N-[[4-[[3-[3-[3-(aminomethyl)azetidin-1-yl]prop-1-ynyl]-4-pyridyl]oxy]-3-fluoro-phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide trihydrochloride Formula: C27H28Cl3F2N5O3 MolecularWeight: 614.898726

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1CC#CC2=C(C=CN=C2)OC3=C(C=C(C=C3)NC(=O)NC(=O)CC4=CC=C(C=C4)F)F)CN.Cl.Cl.Cl

Isomeric SMILES

C1C(CN1CC#CC2=C(C=CN=C2)OC3=C(C=C(C=C3)NC(=O)NC(=O)CC4=CC=C(C=C4)F)F)CN.Cl.Cl.Cl

InChI

InChI=1S/C27H25F2N5O3.3ClH/c28-21-5-3-18(4-6-21)12-26(35)33-27(36)32-22-7-8-25(23(29)13-22)37-24-9-10-31-15-20(24)2-1-11-34-16-19(14-30)17-34;;;/h3-10,13,15,19H,11-12,14,16-17,30H2,(H2,32,33,35,36);3*1H