Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C30H30N4O/c1-22-25(13-8-14-27(22)24-11-6-3-7-12-24)21-35-26-15-16-29-33-28(19-31)30(34(29)20-26)32-18-17-23-9-4-2-5-10-23/h2-16,20,32H,17-19,21,31H2,1H3 |
InChIKey | InChI | 1.03 | SGTXGDZSUFYBPM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(COc2ccc3nc(CN)c(NCCc4ccccc4)n3c2)cccc1c5ccccc5 |
SMILES | CACTVS | 3.385 | Cc1c(COc2ccc3nc(CN)c(NCCc4ccccc4)n3c2)cccc1c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1c2ccccc2)COc3ccc4nc(c(n4c3)NCCc5ccccc5)CN |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1c2ccccc2)COc3ccc4nc(c(n4c3)NCCc5ccccc5)CN |