Ketcher 10221515582D 1 1.00000 0.00000 0 29 32 0 0 0 999 V2000 11.4826 -7.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9829 -7.1211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -8.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5023 -7.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3911 -6.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3057 -6.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6627 -4.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5268 -5.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8673 -8.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -6.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7885 -5.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6627 -3.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9243 -3.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 -3.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9243 -4.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2934 -9.6555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7919 -10.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2872 -9.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2824 -11.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7653 -13.9944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 -10.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2887 -11.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7708 -12.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2723 -13.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7721 -13.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7791 -12.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2738 -13.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0575 -5.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1913 -4.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 3 1 1 0 0 0 4 1 1 0 0 0 6 2 1 0 0 0 9 3 2 0 0 0 5 4 2 0 0 0 10 5 1 0 0 0 5 6 1 0 0 0 7 8 1 0 0 0 11 7 1 0 0 0 12 7 2 0 0 0 8 10 1 0 0 0 15 11 2 0 0 0 14 12 1 0 0 0 13 14 2 0 0 0 15 13 1 0 0 0 17 16 1 0 0 0 18 16 1 0 0 0 22 17 1 0 0 0 21 18 1 0 0 0 19 21 1 0 0 0 23 19 1 0 0 0 19 22 1 0 0 0 20 25 1 0 0 0 20 24 2 0 0 0 26 23 2 0 0 0 27 23 1 0 0 0 24 26 1 0 0 0 25 27 2 0 0 0 3 16 1 0 0 0 15 28 1 0 0 0 28 29 1 0 0 0 M END > CHEBI:88333 > dafadine O > An N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. > 3 > {5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl}[4-(pyridin-4-yl)piperidin-1-yl]methanone > C22H23N3O4 > 393.437 > 393.16886 > 0 > C1(=NOC(=C1)COC=2C=C(C=CC2)OC)C(=O)N3CCC(CC3)C4=CC=NC=C4 > InChI=1S/C22H23N3O4/c1-27-18-3-2-4-19(13-18)28-15-20-14-21(24-29-20)22(26)25-11-7-17(8-12-25)16-5-9-23-10-6-16/h2-6,9-10,13-14,17H,7-8,11-12,15H2,1H3 > OQGAXKQYQAYFPV-UHFFFAOYSA-N > 25668405 > 22057127 $$$$