Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C27H18N2O3/c1-17(30)31-27-23-12-6-14-29(23)24-15-18-7-2-3-8-19(18)16-25(24)32-26(27)21-9-4-11-22-20(21)10-5-13-28-22/h2-16H,1H3 |
InChIKey | InChI | 1.03 | HVSMPYIXZQQOJE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56 |
SMILES | CACTVS | 3.385 | CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6 |