種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(N1Cc2ccccc2C1)C(N)C1CCC(CC1)N1CCCC1 |
InChI | InChI | 1.03 | InChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15-,18-,19-/m0/s1 |
InChIKey | InChI | 1.03 | SYXDQNGJEXFDND-SNRMKQJTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]([C@@H]1CC[C@H](CC1)N2CCCC2)C(=O)N3Cc4ccccc4C3 |
SMILES | CACTVS | 3.385 | N[CH]([CH]1CC[CH](CC1)N2CCCC2)C(=O)N3Cc4ccccc4C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CN(C2)C(=O)[C@H](C3CCC(CC3)N4CCCC4)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CN(C2)C(=O)C(C3CCC(CC3)N4CCCC4)N |