Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n3c2c1cc5cc(ccc5nc1ccc2cc4c3ccc(c4)CNCCC)CNCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCNCc1ccc2nc3c(ccc4nc5ccc(CNCCC)cc5cc34)cc2c1 |
SMILES | CACTVS | 3.341 | CCCNCc1ccc2nc3c(ccc4nc5ccc(CNCCC)cc5cc34)cc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC |
InChI | InChI | 1.03 | InChI=1S/C28H30N4/c1-3-11-29-17-19-6-9-26-22(13-19)15-21-7-10-27-24(28(21)32-26)16-23-14-20(18-30-12-4-2)5-8-25(23)31-27/h5-10,13-16,29-30H,3-4,11-12,17-18H2,1-2H3 |
InChIKey | InChI | 1.03 | BAQHAHCFORIMOQ-UHFFFAOYSA-N |