Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C5C(c2c1ccccc1n(c2)C)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5 |
SMILES_CANONICAL | CACTVS | 3.341 | Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCN)c5ccccc45 |
SMILES | CACTVS | 3.341 | Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCN)c5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN |
SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN |
InChI | InChI | 1.03 | InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30) |
InChIKey | InChI | 1.03 | UQHKJRCFSLMWIA-UHFFFAOYSA-N |