種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)c3c(c2cc(O)ccc2n3Cc5ccc(OCCN4CCCCCC4)cc5)C |
InChI | InChI | 1.03 | InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3 |
InChIKey | InChI | 1.03 | UCJGJABZCDBEDK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c2cc(O)ccc2n(Cc3ccc(OCCN4CCCCCC4)cc3)c1c5ccc(O)cc5 |
SMILES | CACTVS | 3.385 | Cc1c2cc(O)ccc2n(Cc3ccc(OCCN4CCCCCC4)cc3)c1c5ccc(O)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O |