Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCC1CN(Cc2ccc(cc2)c2ccccc2c2nnn[NH]2)c2ncccc2O1 |
InChI | InChI | 1.06 | InChI=1S/C23H22N6O/c1-2-18-15-29(23-21(30-18)8-5-13-24-23)14-16-9-11-17(12-10-16)19-6-3-4-7-20(19)22-25-27-28-26-22/h3-13,18H,2,14-15H2,1H3,(H,25,26,27,28)/t18-/m0/s1 |
InChIKey | InChI | 1.06 | FPJQYVJROWEOEU-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]1CN(Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)c5ncccc5O1 |
SMILES | CACTVS | 3.385 | CC[CH]1CN(Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)c5ncccc5O1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H]1CN(c2c(cccn2)O1)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC1CN(c2c(cccn2)O1)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 |