Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3c2c1ccc(cc1Cc2c(n3)c4ccoc4)CNC5CCC(O)CC5 |
InChI | InChI | 1.03 | InChI=1S/C21H23N3O2/c25-17-4-2-16(3-5-17)22-11-13-1-6-18-15(9-13)10-19-20(23-24-21(18)19)14-7-8-26-12-14/h1,6-9,12,16-17,22,25H,2-5,10-11H2,(H,23,24)/t16-,17- |
InChIKey | InChI | 1.03 | MQYHCTJCBXXBCX-QAQDUYKDSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1CC[C@@H](CC1)NCc2ccc3c(Cc4c([nH]nc34)c5cocc5)c2 |
SMILES | CACTVS | 3.370 | O[CH]1CC[CH](CC1)NCc2ccc3c(Cc4c([nH]nc34)c5cocc5)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc-2c(cc1CNC3CCC(CC3)O)Cc4c2n[nH]c4c5ccoc5 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc-2c(cc1CNC3CCC(CC3)O)Cc4c2n[nH]c4c5ccoc5 |