RInChI=1.00.1S/C17H22N2O2/c1-16(2)14(9-10-17(16,3)12-18)19-15(20)21-11-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,19,20)!C2H6S.BH3/c1-3-2;/h1-2H3;1H3<>C17H26N2O2/c1-16(2)14(9-10-17(16,3)12-18)19-15(20)21-11-13-7-5-4-6-8-13/h4-8,14H,9-12,18H2,1-3H3,(H,19,20)<>C4H8O/c1-2-4-5-3-1/h1-4H2/d+
RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21/E:(1,2)(5,6)(7,8)/rA:21CCCCCCCCCCCCCCCCCNNOO/rB:;;;d4;s4;s5;d6;;s9;;;d7s8s11;s9;;s1s2s14;s3s10s12s16;t12;s14d15;s15;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3;4/E:(1,2);/rA:4CCSB/rB:;s1s2;;/rC:;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21/E:(1,2)(5,6)(7,8)/rA:21CCCCCCCCCCCCCCCCCNNOO/rB:;;;d4;s4;s5;d6;;s9;;;d7s8s11;s9;;s1s2s14;s3s10s12s16;s12;s14d15;s15;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-SQNAIIJXZRGSLM-UHFFFAOYSA-N-RMHDLBZYPISZOI-UHFFFAOYSA-N--BWZKRGWISXRFNU-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-KPVLLSYKQC-BWZKRGWISX-WYURNTSHIV-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=PPDNBXNNWMPQTHRUD-NUHFFFADPSCTJSA