Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n4c3ccc(OCc1nc2c(cc1)cccc2)cc3n(c4C(C)C)c5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C26H23N3O/c1-18(2)26-28-24-15-14-22(16-25(24)29(26)21-9-4-3-5-10-21)30-17-20-13-12-19-8-6-7-11-23(19)27-20/h3-16,18H,17H2,1-2H3 |
InChIKey | InChI | 1.03 | DUSPRZSUFQRSKK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1c5ccccc5 |
SMILES | CACTVS | 3.385 | CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4 |