RInChI=1.00.1S/C21H15N3O2/c25-14-15-4-3-5-18(12-15)16-7-9-17(10-8-16)19-13-21(26)24(23-19)20-6-1-2-11-22-20/h1-14,26H<>C25H23N3O3/c1-25(2,3)31-24(29)30-23-17-21(27-28(23)22-11-7-8-16-26-22)20-14-12-19(13-15-20)18-9-5-4-6-10-18/h4-17H,1-3H3!C26H23N3O4/c1-26(2,3)33-25(31)32-24-16-22(28-29(24)23-9-4-5-14-27-23)20-12-10-19(11-13-20)21-8-6-7-18(15-21)17-30/h4-17H,1-3H3/d-
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26/E:(7,8)(9,10)/rA:26CCCCCCCCCCCCCCCCCCCCCNNNOO/rB:d1;;d3;s3;s1;;;s7;d8;s2;;;;s4d12s14;d7s8;d9s10;d5s12s16;s13s17;d6;d13;d11s20;d19;s20s21s23;d14;s21;/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:(1,2,3)(5,6)(9,10)(12,13)(14,15)/rA:31CCCCCCCCCCCCCCCCCCCCCCCCCNNNOOO/rB:;;;d4;s4;;d7;s5;d6;s7;;;s12;d13;s8;;d9s10;d12s13s18;d14s15;s17s20;d11;d17;;s1s2s3;d16s22;d21;s22s23s27;d24;s23s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33/E:(1,2,3)(10,11)(12,13)/rA:33CCCCCCCCCCCCCCCCCCCCCCCCCCNNNOOOO/rB:;;;d4;;d6;s6;s4;;;s10;d11;s5;;;;s7d15s17;d10s11;d12s13;d8s15s19;s16s20;d9;d16;;s1s2s3;d14s23;d22;s23s24s28;d17;d25;s24s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Long-RInChIKey=SA-BUHFF-ADKNJSZITWSYRJ-UHFFFAOYSA-N--BFFHBCQXGBJUSA-UHFFFAOYSA-N-DUIZUCWXBPPAOC-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-ADKNJSZITW-XIRYWUBBWN-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=FFXQNVWYBSLCPGPVT-NUHFFFADPSCTJSA