RInChI=1.00.1S/C18H17F3N4/c19-18(20,21)16-14(13-5-3-11(9-22)4-6-13)7-8-15-17(16)23-24-25(15)10-12-1-2-12/h3-8,12H,1-2,9-10,22H2!C18H28N6OP.BF4/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;2-1(3,4)5/h1-2,9-10H,3-8,11-16H2;/q+1;-1!C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)!C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3<>C21H21F3N4O2/c1-12(29)20(30)25-10-13-4-6-15(7-5-13)16-8-9-17-19(18(16)21(22,23)24)26-27-28(17)11-14-2-3-14/h4-9,12,14,29H,2-3,10-11H2,1H3,(H,25,30)<>CH2Cl2/c2-1-3/h1H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25/E:(1,2)(3,4)(5,6)(19,20,21)/rA:25CCCCCCCCCCCCCCCCCCFFFNNNN/rB:s1;;;s3;d4;;d7;;;d3s4s9;s1s2s10;d5s6;s7s13;s8;d14;d15s16;s16;s18;s18;s18;s9;s17;d23;s10s15s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26;27,28,29,30,31/E:(3,4,5,6,7,8)(11,12,13,14,15,16)(21,22,23);(2,3,4,5)/CRV:26+1;1-1/rA:31CCCCCCCCCCCCCCCCCCNNNNNNOP+B-FFFF/rB:d1;;s3;;s5;;s7;s1;s2;s3;s4;s5;s6;s7;s8;d9;d10s17;s17;d19;s11s12;s13s14;s15s16;s18s20;s24;s21s22s23s25;;s27;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4,5,6/E:(5,6)/rA:6CCCOOO/rB:s1;s2;s2;d3;s3;/rC:;;;;;;!0/N:1,2,3,4,5,6,7,8,9/E:(2,3,4,5)(7,8)/rA:9CCCCCCCCN/rB:;;;;s1;s2s3;s4s5;s6s7s8;/rC:;;;;;;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30/E:(2,3)(4,5)(6,7)(22,23,24)/rA:30CCCCCCCCCCCCCCCCCCCCCFFFNNNNOO/rB:;s2;;;s4;d5;;d8;;;s1;d4s5s10;s2s3s11;d6s7;s8s15;s9;d16;d17s18;s12;s18;s21;s21;s21;s10d20;s19;d26;s11s17s27;s12;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;
Long-RInChIKey=SA-FUHFF-PBYICTCLDJIFPD-UHFFFAOYSA-N-MSQNHMLXFAPWAO-UHFFFAOYSA-N-JVTAAEKCZFNVCJ-UHFFFAOYSA-N-JGFZNNIVVJXRND-UHFFFAOYSA-N--BQINSVHLUGYOAY-UHFFFAOYSA-N--YMWUJEATGCHHMB-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-WCCZILXHPX-BQINSVHLUG-YMWUJEATGC-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=XANNUHYOYVLWSIUTH-NUHFFFADPSCTJSA